1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C27H36N4O4 — CID 118364351

IUPAC1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@@H](C)C2CCN(CCO)CC2)c2ccccc12
InChIInChI=1S/C27H36N4O4/c1-17-15-24(35-4)22(26(33)29-17)16-28-27(34)25-19(3)31(23-8-6-5-7-21(23)25)18(2)20-9-11-30(12-10-20)13-14-32/h5-8,15,18,20,32H,9-14,16H2,1-4H3,(H,28,34)(H,29,33)/t18-/m0/s1
InChIKeyRNXPLTOQNKOSIR-SFHVURJKSA-N
MW480.61 g/mol
LogP3.15
Rot. Bonds8

About 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 118364351) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID118364351
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@@H](C)C2CCN(CCO)CC2)c2ccccc12
InChIInChI=1S/C27H36N4O4/c1-17-15-24(35-4)22(26(33)29-17)16-28-27(34)25-19(3)31(23-8-6-5-7-21(23)25)18(2)20-9-11-30(12-10-20)13-14-32/h5-8,15,18,20,32H,9-14,16H2,1-4H3,(H,28,34)(H,29,33)/t18-/m0/s1
InChIKeyRNXPLTOQNKOSIR-SFHVURJKSA-N
XLogP3.15
TPSA99.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 118364351) is 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@@H](C)C2CCN(CCO)CC2)c2ccccc12.
What is the InChIKey of 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is RNXPLTOQNKOSIR-SFHVURJKSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-17-15-24(35-4)22(26(33)29-17)16-28-27(34)25-19(3)31(23-8-6-5-7-21(23)25)18(2)20-9-11-30(12-10-20)13-14-32/h5-8,15,18,20,32H,9-14,16H2,1-4H3,(H,28,34)(H,29,33)/t18-/m0/s1.
What are the key properties of 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 118364351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).