2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid

C15H15N3O3 — CID 104741894

IUPAC2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ncccc2N)cc1
InChIInChI=1S/C15H15N3O3/c1-10-4-6-11(7-5-10)18(9-13(19)20)15(21)14-12(16)3-2-8-17-14/h2-8H,9,16H2,1H3,(H,19,20)
InChIKeyUAQKROSDKDPYBF-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.70
Rot. Bonds4

About 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid

2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid (PubChem CID 104741894) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid
PubChem CID104741894
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ncccc2N)cc1
InChIInChI=1S/C15H15N3O3/c1-10-4-6-11(7-5-10)18(9-13(19)20)15(21)14-12(16)3-2-8-17-14/h2-8H,9,16H2,1H3,(H,19,20)
InChIKeyUAQKROSDKDPYBF-UHFFFAOYSA-N
XLogP1.70
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid
CID 107517015
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid
CID 60831444
3-amino-N-methyl-N-pyridin-4-ylpyridine-2-carboxamide
CID 106934951
3-amino-N,N-bis(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741768
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid
CID 60831784
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116530
ethyl 3-aminopyridine-2-carboxylate
CID 565054
3-amino-N-butan-2-yl-N-ethylpyridine-2-carboxamide
CID 104741017

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid (CID 104741894) is 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)c2ncccc2N)cc1.
What is the InChIKey of 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid?
The InChIKey is UAQKROSDKDPYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-4-6-11(7-5-10)18(9-13(19)20)15(21)14-12(16)3-2-8-17-14/h2-8H,9,16H2,1H3,(H,19,20).
What are the key properties of 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid?
2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid is sourced from PubChem (CID 104741894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).