4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid

C19H22N2O3 — CID 146143201

IUPAC4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)cncc1C(=O)NC(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H22N2O3/c1-12(2)17(9-14-7-5-4-6-8-14)21-18(22)15-10-20-11-16(13(15)3)19(23)24/h4-8,10-12,17H,9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyWIEJMJBNMBYVGR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.09
Rot. Bonds6

About 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid

4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 146143201) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID146143201
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)cncc1C(=O)NC(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H22N2O3/c1-12(2)17(9-14-7-5-4-6-8-14)21-18(22)15-10-20-11-16(13(15)3)19(23)24/h4-8,10-12,17H,9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyWIEJMJBNMBYVGR-UHFFFAOYSA-N
XLogP3.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dihydroxy-3-phenylpropan-2-yl)carbamoyl]benzoic acid
CID 123353160
5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143160
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
2-methyl-3-[(3-methyl-1-piperidin-1-ylbutan-2-yl)carbamoyl]benzoic acid
CID 166290185
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
CID 95185642
2-(4-chlorophenoxy)-N-(3-methyl-1-phenylbutan-2-yl)acetamide
CID 53338213
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
pyridin-3-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[(3-hydroxy-2-methylbenzoyl)amino]-1,6-diphenylhexan-2-yl]carbamate
CID 57123780
5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 71074543
N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 63755410
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid (CID 146143201) is 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid is Cc1c(C(=O)O)cncc1C(=O)NC(Cc1ccccc1)C(C)C.
What is the InChIKey of 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is WIEJMJBNMBYVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)17(9-14-7-5-4-6-8-14)21-18(22)15-10-20-11-16(13(15)3)19(23)24/h4-8,10-12,17H,9H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146143201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).