(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid

C17H25N3O3 — CID 119363491

IUPAC(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccnc1N1CCCCC1)C(=O)O
InChIInChI=1S/C17H25N3O3/c1-12(2)11-14(17(22)23)19-16(21)13-7-6-8-18-15(13)20-9-4-3-5-10-20/h6-8,12,14H,3-5,9-11H2,1-2H3,(H,19,21)(H,22,23)/t14-/m1/s1
InChIKeyPEZUUMJRBBTLCK-CQSZACIVSA-N
MW319.41 g/mol
LogP2.30
Rot. Bonds6

About (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 119363491) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
PubChem CID119363491
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccnc1N1CCCCC1)C(=O)O
InChIInChI=1S/C17H25N3O3/c1-12(2)11-14(17(22)23)19-16(21)13-7-6-8-18-15(13)20-9-4-3-5-10-20/h6-8,12,14H,3-5,9-11H2,1-2H3,(H,19,21)(H,22,23)/t14-/m1/s1
InChIKeyPEZUUMJRBBTLCK-CQSZACIVSA-N
XLogP2.30
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 110886372
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid
CID 119360770
N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 111520136
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 95772183
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 98718599

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid (CID 119363491) is (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1cccnc1N1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is PEZUUMJRBBTLCK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)11-14(17(22)23)19-16(21)13-7-6-8-18-15(13)20-9-4-3-5-10-20/h6-8,12,14H,3-5,9-11H2,1-2H3,(H,19,21)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 319.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119363491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).