(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid

C18H21N3O3 — CID 119368692

IUPAC(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)O
InChIInChI=1S/C18H21N3O3/c1-12(2)16(18(23)24)20-17(22)13-9-10-15(19-11-13)21(3)14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,20,22)(H,23,24)/t16-/m1/s1
InChIKeyKIDXUWXSKSZKJZ-MRXNPFEDSA-N
MW327.38 g/mol
LogP2.69
Rot. Bonds6

About (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid

(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 119368692) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
PubChem CID119368692
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)O
InChIInChI=1S/C18H21N3O3/c1-12(2)16(18(23)24)20-17(22)13-9-10-15(19-11-13)21(3)14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,20,22)(H,23,24)/t16-/m1/s1
InChIKeyKIDXUWXSKSZKJZ-MRXNPFEDSA-N
XLogP2.69
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate
CID 112830437
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 43353682
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid (CID 119368692) is (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid is CC(C)[C@@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is KIDXUWXSKSZKJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)16(18(23)24)20-17(22)13-9-10-15(19-11-13)21(3)14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,20,22)(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119368692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).