6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid

C19H21N3O4 — CID 119181695

IUPAC6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C19H21N3O4/c1-3-12(2)17(23)21-14-7-4-6-13(10-14)11-20-18(24)15-8-5-9-16(22-15)19(25)26/h4-10,12H,3,11H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)
InChIKeyOAIBIJSKZBNQSM-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.69
Rot. Bonds7

About 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid

6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119181695) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119181695
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C19H21N3O4/c1-3-12(2)17(23)21-14-7-4-6-13(10-14)11-20-18(24)15-8-5-9-16(22-15)19(25)26/h4-10,12H,3,11H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)
InChIKeyOAIBIJSKZBNQSM-UHFFFAOYSA-N
XLogP2.69
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408010
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55749646
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55749353
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78882027
1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide
CID 55882334
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 119181695) is 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid is CCC(C)C(=O)Nc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OAIBIJSKZBNQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-12(2)17(23)21-14-7-4-6-13(10-14)11-20-18(24)15-8-5-9-16(22-15)19(25)26/h4-10,12H,3,11H2,1-2H3,(H,20,24)(H,21,23)(H,25,26).
What are the key properties of 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119181695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).