2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C12H11ClN4O3 — CID 115287993

IUPAC2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NC(=O)c2ccc(Cl)nc2)C(=O)O)cn1
InChIInChI=1S/C12H11ClN4O3/c1-17-6-8(5-15-17)10(12(19)20)16-11(18)7-2-3-9(13)14-4-7/h2-6,10H,1H3,(H,16,18)(H,19,20)
InChIKeyFXOXXTIKHHKIHT-UHFFFAOYSA-N
MW294.70 g/mol
LogP1.02
Rot. Bonds4

About 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115287993) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115287993
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NC(=O)c2ccc(Cl)nc2)C(=O)O)cn1
InChIInChI=1S/C12H11ClN4O3/c1-17-6-8(5-15-17)10(12(19)20)16-11(18)7-2-3-9(13)14-4-7/h2-6,10H,1H3,(H,16,18)(H,19,20)
InChIKeyFXOXXTIKHHKIHT-UHFFFAOYSA-N
XLogP1.02
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288199
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
2-[(3,4-dimethylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287952
2-[[4-(aminomethyl)benzoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288689
2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid
CID 113279490
2-[(4-fluoro-3-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288039
2-[(5-fluoropyridine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104638368
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288203
2-[(4-hydroxy-2-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 107670892
2-[(2-iodobenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287967
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
CID 115288107

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115287993) is 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NC(=O)c2ccc(Cl)nc2)C(=O)O)cn1.
What is the InChIKey of 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is FXOXXTIKHHKIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-17-6-8(5-15-17)10(12(19)20)16-11(18)7-2-3-9(13)14-4-7/h2-6,10H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 294.70 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115287993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).