2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid

C18H20ClN3O3 — CID 53093981

IUPAC2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C18H20ClN3O3/c1-3-4-9-22(2)16-15(18(24)25)10-14(11-20-16)21-17(23)12-5-7-13(19)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyLOUBHIIZHZOOSF-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.92
Rot. Bonds7

About 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid

2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 53093981) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID53093981
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C18H20ClN3O3/c1-3-4-9-22(2)16-15(18(24)25)10-14(11-20-16)21-17(23)12-5-7-13(19)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyLOUBHIIZHZOOSF-UHFFFAOYSA-N
XLogP3.92
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid
CID 53024534
5-[(3-chlorobenzoyl)amino]-2-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carboxylic acid
CID 53094424
5-benzamido-2-[bis(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 53094198
2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024537
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094025
2-[[(2R)-1,4-dioxan-2-yl]methyl-methylamino]-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 95075708
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094040
2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109312235

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid (CID 53093981) is 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid is CCCCN(C)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)O.
What is the InChIKey of 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is LOUBHIIZHZOOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-3-4-9-22(2)16-15(18(24)25)10-14(11-20-16)21-17(23)12-5-7-13(19)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 361.83 g/mol, XLogP of 3.92, 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-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53093981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).