4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide

C73H87N17O14 — CID 161348345

About 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide

4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide (PubChem CID 161348345) has the molecular formula C73H87N17O14 and a molecular weight of 1426.60 g/mol. Its IUPAC name is 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide.

Molecular Properties

• Compound Name: 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide
• PubChem CID: 161348345
• Molecular Formula: C73H87N17O14
• Molecular Weight: 1426.60 g/mol
• Exact Mass: 1425.66
• IUPAC Name: 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide
• SMILES: CN1CC=C(C(=O)O)CC1.CN1CC=C(C(N)=O)CC1.COC(=O)c1ccc(C(=O)OC(C)(C)C)cc1.NC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.NC(=O)C1=CCNCC1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1
• InChI: InChI=1S/C23H23N7O3.C17H15N5O3.C13H16O4.C7H12N2O.C7H11NO2.C6H10N2O/c24-21(32)14-5-7-30(8-6-14)20(31)11-19-28-29-22(33-19)17-12-25-23(26-13-17)27-18-9-15-3-1-2-4-16(15)10-18;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-13(2,3)17-12(15)10-7-5-9(6-8-10)11(14)16-4;1-9-4-2-6(3-5-9)7(8)10;1-8-4-2-6(3-5-8)7(9)10;7-6(9)5-1-3-8-4-2-5/h1-5,12-13,18H,6-11H2,(H2,24,32)(H,25,26,27);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);5-8H,1-4H3;2H,3-5H2,1H3,(H2,8,10);2H,3-5H2,1H3,(H,9,10);1,8H,2-4H2,(H2,7,9)
• InChIKey: VNPHSBBZSSFPRY-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 448.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1426.60
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide?

The IUPAC name of 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide (CID 161348345) is 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide.

What is the SMILES notation for 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide?

The canonical SMILES for 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide is CN1CC=C(C(=O)O)CC1.CN1CC=C(C(N)=O)CC1.COC(=O)c1ccc(C(=O)OC(C)(C)C)cc1.NC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.NC(=O)C1=CCNCC1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.

What is the InChIKey of 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide?

The InChIKey is VNPHSBBZSSFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3.C17H15N5O3.C13H16O4.C7H12N2O.C7H11NO2.C6H10N2O/c24-21(32)14-5-7-30(8-6-14)20(31)11-19-28-29-22(33-19)17-12-25-23(26-13-17)27-18-9-15-3-1-2-4-16(15)10-18;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-13(2,3)17-12(15)10-7-5-9(6-8-10)11(14)16-4;1-9-4-2-6(3-5-9)7(8)10;1-8-4-2-6(3-5-8)7(9)10;7-6(9)5-1-3-8-4-2-5/h1-5,12-13,18H,6-11H2,(H2,24,32)(H,25,26,27);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);5-8H,1-4H3;2H,3-5H2,1H3,(H2,8,10);2H,3-5H2,1H3,(H,9,10);1,8H,2-4H2,(H2,7,9).

What are the key properties of 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide?

4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide has a molecular weight of 1426.60 g/mol, XLogP of 4.91, 16 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-tert-butyl 1-O-methyl benzene-1,4-dicarboxylate;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;1,2,3,6-tetrahydropyridine-4-carboxamide is sourced from PubChem (CID 161348345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).