4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride

C52H73ClN10O7 — CID 164993952

About 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride

4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride (PubChem CID 164993952) has the molecular formula C52H73ClN10O7 and a molecular weight of 985.67 g/mol. Its IUPAC name is 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride.

Molecular Properties

• Compound Name: 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride
• PubChem CID: 164993952
• Molecular Formula: C52H73ClN10O7
• Molecular Weight: 985.67 g/mol
• Exact Mass: 984.54
• IUPAC Name: 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)N(C)C)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)O)nc(N4CCOCC4)c3)c2)C1.CNC.Cl
• InChI: InChI=1S/C26H35N5O3.C24H30N4O4.C2H7N.ClH/c1-5-19-8-9-31(17-19)26(33)27-21-7-6-18(2)22(16-21)20-14-23(25(32)29(3)4)28-24(15-20)30-10-12-34-13-11-30;1-3-17-6-7-28(15-17)24(31)25-19-5-4-16(2)20(14-19)18-12-21(23(29)30)26-22(13-18)27-8-10-32-11-9-27;1-3-2;/h6-7,14-16,19H,5,8-13,17H2,1-4H3,(H,27,33);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,31)(H,29,30);3H,1-2H3;1H/t19-;17-;;/m11../s1
• InChIKey: KAPYFIOXASFZRA-UDVSTYJBSA-N
• XLogP: 7.97
• TPSA: 185.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	985.67
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride?

The IUPAC name of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride (CID 164993952) is 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride.

What is the SMILES notation for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride?

The canonical SMILES for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)N(C)C)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)O)nc(N4CCOCC4)c3)c2)C1.CNC.Cl.

What is the InChIKey of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride?

The InChIKey is KAPYFIOXASFZRA-UDVSTYJBSA-N. The full InChI is InChI=1S/C26H35N5O3.C24H30N4O4.C2H7N.ClH/c1-5-19-8-9-31(17-19)26(33)27-21-7-6-18(2)22(16-21)20-14-23(25(32)29(3)4)28-24(15-20)30-10-12-34-13-11-30;1-3-17-6-7-28(15-17)24(31)25-19-5-4-16(2)20(14-19)18-12-21(23(29)30)26-22(13-18)27-8-10-32-11-9-27;1-3-2;/h6-7,14-16,19H,5,8-13,17H2,1-4H3,(H,27,33);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,31)(H,29,30);3H,1-2H3;1H/t19-;17-;;/m11../s1.

What are the key properties of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride?

4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride has a molecular weight of 985.67 g/mol, XLogP of 7.97, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 164993952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).