N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide

C27H33ClN4O3 — CID 123890542

About N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123890542) has the molecular formula C27H33ClN4O3 and a molecular weight of 497.04 g/mol. Its IUPAC name is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide
• PubChem CID: 123890542
• Molecular Formula: C27H33ClN4O3
• Molecular Weight: 497.04 g/mol
• Exact Mass: 496.22
• IUPAC Name: N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide
• SMILES: Cc1cc(Cl)c(CNC(=O)c2c(C)n(C(C)C3CCN(C4COC4)CC3)c3ccccc23)c(=O)[nH]1
• InChI: InChI=1S/C27H33ClN4O3/c1-16-12-23(28)22(26(33)30-16)13-29-27(34)25-18(3)32(24-7-5-4-6-21(24)25)17(2)19-8-10-31(11-9-19)20-14-35-15-20/h4-7,12,17,19-20H,8-11,13-15H2,1-3H3,(H,29,34)(H,30,33)
• InChIKey: TVHUVWZYZCUWQE-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 79.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.04
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide?

The IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123890542) is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide.

What is the SMILES notation for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide?

The canonical SMILES for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide is Cc1cc(Cl)c(CNC(=O)c2c(C)n(C(C)C3CCN(C4COC4)CC3)c3ccccc23)c(=O)[nH]1.

What is the InChIKey of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide?

The InChIKey is TVHUVWZYZCUWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O3/c1-16-12-23(28)22(26(33)30-16)13-29-27(34)25-18(3)32(24-7-5-4-6-21(24)25)17(2)19-8-10-31(11-9-19)20-14-35-15-20/h4-7,12,17,19-20H,8-11,13-15H2,1-3H3,(H,29,34)(H,30,33).

What are the key properties of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide?

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 497.04 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123890542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).