(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid

C15H18N4O3 — CID 120614797

IUPAC(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)O
InChIInChI=1S/C15H18N4O3/c1-2-3-5-12(15(21)22)18-14(20)11-6-8-16-13(10-11)19-9-4-7-17-19/h4,6-10,12H,2-3,5H2,1H3,(H,18,20)(H,21,22)/t12-/m0/s1
InChIKeyPGOQCYKCQUNKJE-LBPRGKRZSA-N
MW302.33 g/mol
LogP1.64
Rot. Bonds7

About (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid

(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid (PubChem CID 120614797) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid
PubChem CID120614797
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)O
InChIInChI=1S/C15H18N4O3/c1-2-3-5-12(15(21)22)18-14(20)11-6-8-16-13(10-11)19-9-4-7-17-19/h4,6-10,12H,2-3,5H2,1H3,(H,18,20)(H,21,22)/t12-/m0/s1
InChIKeyPGOQCYKCQUNKJE-LBPRGKRZSA-N
XLogP1.64
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
CID 120614998
(2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid
CID 119369572
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
(2S)-2-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
CID 93057045
N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119665156
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 107821874
(2S)-2-[[3-(dimethylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120614981
2-(1,3-benzoxazole-5-carbonylamino)hexanoic acid
CID 108795182
(2S)-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]hexanoic acid
CID 120615352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid (CID 120614797) is (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is PGOQCYKCQUNKJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-3-5-12(15(21)22)18-14(20)11-6-8-16-13(10-11)19-9-4-7-17-19/h4,6-10,12H,2-3,5H2,1H3,(H,18,20)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid?
(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120614797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).