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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(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
SMILESCc1cc(Cl)c(CNC(=O)c2c(C)n(C(C)C3CCN(C4COC4)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=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)
InChIKeyTVHUVWZYZCUWQE-UHFFFAOYSA-N
MW497.04 g/mol
LogP4.20
Rot. Bonds6

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 NameN-[(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 CID123890542
Molecular FormulaC27H33ClN4O3
Molecular Weight497.04 g/mol
Exact Mass496.22
IUPAC NameN-[(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
SMILESCc1cc(Cl)c(CNC(=O)c2c(C)n(C(C)C3CCN(C4COC4)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=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)
InChIKeyTVHUVWZYZCUWQE-UHFFFAOYSA-N
XLogP4.20
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.04
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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).

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