4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid

C18H21N3O3 — CID 119346931

IUPAC4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C18H21N3O3/c1-20(12-6-9-17(22)23)18(24)14-10-11-16(19-13-14)21(2)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,22,23)
InChIKeyYRNCCLSCLWOWOL-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds7

About 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid

4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 119346931) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
PubChem CID119346931
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C18H21N3O3/c1-20(12-6-9-17(22)23)18(24)14-10-11-16(19-13-14)21(2)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,22,23)
InChIKeyYRNCCLSCLWOWOL-UHFFFAOYSA-N
XLogP2.79
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Src-820 R
CID 63120
Propizepine
CID 112029
BI-RJ 70
CID 72347
N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453243
5H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 11-ethyl-6,11-dihydro-6-methyl-
CID 453251
N6,N11-Diethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453254
N6-Methyl-N11-propyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453255
N11-Isopropyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453256
N11-Ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453307
N5-Methyl-N11-propyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453312
N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453341

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid (CID 119346931) is 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1ccc(N(C)c2ccccc2)nc1.
What is the InChIKey of 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is YRNCCLSCLWOWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20(12-6-9-17(22)23)18(24)14-10-11-16(19-13-14)21(2)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,22,23).
What are the key properties of 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119346931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).