2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid

C19H23N3O3 — CID 53093984

IUPAC2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NC(=O)c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C19H23N3O3/c1-4-5-10-22(3)17-16(19(24)25)11-14(12-20-17)21-18(23)15-9-7-6-8-13(15)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyJDMNXNUAYXXSLD-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.58
Rot. Bonds7

About 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid

2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 53093984) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID53093984
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NC(=O)c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C19H23N3O3/c1-4-5-10-22(3)17-16(19(24)25)11-14(12-20-17)21-18(23)15-9-7-6-8-13(15)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyJDMNXNUAYXXSLD-UHFFFAOYSA-N
XLogP3.58
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094025
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094040
2-[butyl(methyl)amino]-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093980
2-[butyl(methyl)amino]-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093985
2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53093981
2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid
CID 53024534
N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide
CID 112985297
2-[butyl(ethyl)amino]-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807321
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807457
2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
CID 113015333
2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024537

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (CID 53093984) is 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is CCCCN(C)c1ncc(NC(=O)c2ccccc2C)cc1C(=O)O.
What is the InChIKey of 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is JDMNXNUAYXXSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-5-10-22(3)17-16(19(24)25)11-14(12-20-17)21-18(23)15-9-7-6-8-13(15)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53093984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).