3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

C27H30ClN3O3 — CID 45228304

IUPAC3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C27H30ClN3O3/c1-17(2)14-29-26(33)22-15-31(18(3)4)16-23(25(22)32)27(34)30-24(19-8-6-5-7-9-19)20-10-12-21(28)13-11-20/h5-13,15-18,24H,14H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyDYPULLHAHSZSMO-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.99
Rot. Bonds8

About 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 45228304) has the molecular formula C27H30ClN3O3 and a molecular weight of 480.01 g/mol. Its IUPAC name is 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID45228304
Molecular FormulaC27H30ClN3O3
Molecular Weight480.01 g/mol
Exact Mass479.20
IUPAC Name3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C27H30ClN3O3/c1-17(2)14-29-26(33)22-15-31(18(3)4)16-23(25(22)32)27(34)30-24(19-8-6-5-7-9-19)20-10-12-21(28)13-11-20/h5-13,15-18,24H,14H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyDYPULLHAHSZSMO-UHFFFAOYSA-N
XLogP4.99
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45172343
3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 42367751
5-[[(1S)-2-carboxy-1-phenylethyl]carbamoyl]-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 124751395
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 42368008
N-[(4-chlorophenyl)-phenylmethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464297
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
5-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45237306
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112772541
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 45228304) is 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is DYPULLHAHSZSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O3/c1-17(2)14-29-26(33)22-15-31(18(3)4)16-23(25(22)32)27(34)30-24(19-8-6-5-7-9-19)20-10-12-21(28)13-11-20/h5-13,15-18,24H,14H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 480.01 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 45228304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).