N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide

C30H40N4O3 — CID 142589863

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide (PubChem CID 142589863) has the molecular formula C30H40N4O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide
• PubChem CID: 142589863
• Molecular Formula: C30H40N4O3
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.31
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCC(NC4(C)COC4)CC3)c3ccccc23)c(=O)[nH]1
• InChI: InChI=1S/C30H40N4O3/c1-18-14-19(2)32-28(35)25(18)15-31-29(36)27-21(4)34(26-9-7-6-8-24(26)27)20(3)22-10-12-23(13-11-22)33-30(5)16-37-17-30/h6-9,14,20,22-23,33H,10-13,15-17H2,1-5H3,(H,31,36)(H,32,35)/t20-,22?,23?/m1/s1
• InChIKey: FLYUKUKKFIFENV-RDABAPPSSA-N
• XLogP: 4.68
• TPSA: 88.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide (CID 142589863) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCC(NC4(C)COC4)CC3)c3ccccc23)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide?

The InChIKey is FLYUKUKKFIFENV-RDABAPPSSA-N. The full InChI is InChI=1S/C30H40N4O3/c1-18-14-19(2)32-28(35)25(18)15-31-29(36)27-21(4)34(26-9-7-6-8-24(26)27)20(3)22-10-12-23(13-11-22)33-30(5)16-37-17-30/h6-9,14,20,22-23,33H,10-13,15-17H2,1-5H3,(H,31,36)(H,32,35)/t20-,22?,23?/m1/s1.

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide has a molecular weight of 504.68 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 142589863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).