N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide

C27H35ClN4O3 — CID 144791505

IUPACN-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide
SMILESCc1cc(Cl)c(CNC(=O)c2c(C)n(CC3CCN(CC(C)(C)O)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C27H35ClN4O3/c1-17-13-22(28)21(25(33)30-17)14-29-26(34)24-18(2)32(23-8-6-5-7-20(23)24)15-19-9-11-31(12-10-19)16-27(3,4)35/h5-8,13,19,35H,9-12,14-16H2,1-4H3,(H,29,34)(H,30,33)
InChIKeyULQIDRKMFBHVES-UHFFFAOYSA-N
MW499.06 g/mol
LogP4.01
Rot. Bonds7

About N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide (PubChem CID 144791505) has the molecular formula C27H35ClN4O3 and a molecular weight of 499.06 g/mol. Its IUPAC name is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide
PubChem CID144791505
Molecular FormulaC27H35ClN4O3
Molecular Weight499.06 g/mol
Exact Mass498.24
IUPAC NameN-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide
SMILESCc1cc(Cl)c(CNC(=O)c2c(C)n(CC3CCN(CC(C)(C)O)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C27H35ClN4O3/c1-17-13-22(28)21(25(33)30-17)14-29-26(34)24-18(2)32(23-8-6-5-7-20(23)24)15-19-9-11-31(12-10-19)16-27(3,4)35/h5-8,13,19,35H,9-12,14-16H2,1-4H3,(H,29,34)(H,30,33)
InChIKeyULQIDRKMFBHVES-UHFFFAOYSA-N
XLogP4.01
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.06
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide?
The IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide (CID 144791505) is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide is Cc1cc(Cl)c(CNC(=O)c2c(C)n(CC3CCN(CC(C)(C)O)CC3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide?
The InChIKey is ULQIDRKMFBHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O3/c1-17-13-22(28)21(25(33)30-17)14-29-26(34)24-18(2)32(23-8-6-5-7-20(23)24)15-19-9-11-31(12-10-19)16-27(3,4)35/h5-8,13,19,35H,9-12,14-16H2,1-4H3,(H,29,34)(H,30,33).
What are the key properties of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide?
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide has a molecular weight of 499.06 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 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]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 144791505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).