methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride

C167H194ClN25O20 — CID 158055197

About methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride

methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride (PubChem CID 158055197) has the molecular formula C167H194ClN25O20 and a molecular weight of 2907.00 g/mol. Its IUPAC name is methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride.

Molecular Properties

• Compound Name: methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride
• PubChem CID: 158055197
• Molecular Formula: C167H194ClN25O20
• Molecular Weight: 2907.00 g/mol
• Exact Mass: 2904.46
• IUPAC Name: methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride
• SMILES: CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)O)ccn2)c1.COC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2N)c1.COC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(C(=O)N(C)CCN3CCOCC3)c2)c1.Cl
• InChI: InChI=1S/2C42H48N6O4.C33H39N5O5.C32H37N5O5.C18H21N3O2.ClH/c2*1-46(21-22-47-23-25-52-26-24-47)42(51)33-12-7-11-31(27-33)40(49)45-38-16-15-34(48-19-5-2-6-20-48)29-36(38)39-28-32(17-18-43-39)41(50)44-37-14-8-10-30-9-3-4-13-35(30)37;1-36(15-16-37-17-19-43-20-18-37)32(40)25-8-6-7-24(21-25)31(39)35-29-10-9-27(38-13-4-3-5-14-38)23-28(29)30-22-26(11-12-34-30)33(41)42-2;1-35(14-15-36-16-18-42-19-17-36)31(39)24-7-5-6-23(20-24)30(38)34-28-9-8-26(37-12-3-2-4-13-37)22-27(28)29-21-25(32(40)41)10-11-33-29;1-23-18(22)13-7-8-20-17(11-13)15-12-14(5-6-16(15)19)21-9-3-2-4-10-21;/h2*3-4,7,9,11-13,15-18,27-29,37H,2,5-6,8,10,14,19-26H2,1H3,(H,44,50)(H,45,49);6-12,21-23H,3-5,13-20H2,1-2H3,(H,35,39);5-11,20-22H,2-4,12-19H2,1H3,(H,34,38)(H,40,41);5-8,11-12H,2-4,9-10,19H2,1H3;1H/t2*37-;;;;/m00..../s1
• InChIKey: LNVLEGPRJYNWOR-ONSPRSDDSA-N
• XLogP: 24.21
• TPSA: 502.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2907.00
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride?

The IUPAC name of methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride (CID 158055197) is methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride.

What is the SMILES notation for methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride?

The canonical SMILES for methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride is CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)O)ccn2)c1.COC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2N)c1.COC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(C(=O)N(C)CCN3CCOCC3)c2)c1.Cl.

What is the InChIKey of methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride?

The InChIKey is LNVLEGPRJYNWOR-ONSPRSDDSA-N. The full InChI is InChI=1S/2C42H48N6O4.C33H39N5O5.C32H37N5O5.C18H21N3O2.ClH/c2*1-46(21-22-47-23-25-52-26-24-47)42(51)33-12-7-11-31(27-33)40(49)45-38-16-15-34(48-19-5-2-6-20-48)29-36(38)39-28-32(17-18-43-39)41(50)44-37-14-8-10-30-9-3-4-13-35(30)37;1-36(15-16-37-17-19-43-20-18-37)32(40)25-8-6-7-24(21-25)31(39)35-29-10-9-27(38-13-4-3-5-14-38)23-28(29)30-22-26(11-12-34-30)33(41)42-2;1-35(14-15-36-16-18-42-19-17-36)31(39)24-7-5-6-23(20-24)30(38)34-28-9-8-26(37-12-3-2-4-13-37)22-27(28)29-21-25(32(40)41)10-11-33-29;1-23-18(22)13-7-8-20-17(11-13)15-12-14(5-6-16(15)19)21-9-3-2-4-10-21;/h2*3-4,7,9,11-13,15-18,27-29,37H,2,5-6,8,10,14,19-26H2,1H3,(H,44,50)(H,45,49);6-12,21-23H,3-5,13-20H2,1-2H3,(H,35,39);5-11,20-22H,2-4,12-19H2,1H3,(H,34,38)(H,40,41);5-8,11-12H,2-4,9-10,19H2,1H3;1H/t2*37-;;;;/m00..../s1.

What are the key properties of methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride?

methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride has a molecular weight of 2907.00 g/mol, XLogP of 24.21, 41 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid;bis(3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide);hydrochloride is sourced from PubChem (CID 158055197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).