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

C22H21N3O3 — CID 53094025

IUPAC2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cnc(N(C)Cc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C22H21N3O3/c1-15-8-6-7-11-18(15)21(26)24-17-12-19(22(27)28)20(23-13-17)25(2)14-16-9-4-3-5-10-16/h3-13H,14H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyIGQLBLIIWMTNNB-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.98
Rot. Bonds6

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

2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 53094025) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID53094025
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cnc(N(C)Cc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C22H21N3O3/c1-15-8-6-7-11-18(15)21(26)24-17-12-19(22(27)28)20(23-13-17)25(2)14-16-9-4-3-5-10-16/h3-13H,14H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyIGQLBLIIWMTNNB-UHFFFAOYSA-N
XLogP3.98
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094040
2-[benzyl(methyl)amino]-5-[(2,4,6-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056639
5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid
CID 53093967
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024612
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
5-benzamido-2-[bis(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 53094198
2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53093981
2-[benzyl(methyl)amino]-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054436
2-[benzyl(methyl)amino]-5-[(5-bromothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054439

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (CID 53094025) is 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is Cc1ccccc1C(=O)Nc1cnc(N(C)Cc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is IGQLBLIIWMTNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-8-6-7-11-18(15)21(26)24-17-12-19(22(27)28)20(23-13-17)25(2)14-16-9-4-3-5-10-16/h3-13H,14H2,1-2H3,(H,24,26)(H,27,28).
What are the key properties of 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53094025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).