N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide

C11H14ClN3O2 — CID 174451033

IUPACN-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide
SMILESNCCC[C@H](C=O)NC(=O)c1cccnc1Cl
InChIInChI=1S/C11H14ClN3O2/c12-10-9(4-2-6-14-10)11(17)15-8(7-16)3-1-5-13/h2,4,6-8H,1,3,5,13H2,(H,15,17)/t8-/m1/s1
InChIKeyUQSQQYDOQRJCGD-MRVPVSSYSA-N
MW255.71 g/mol
LogP0.77
Rot. Bonds6

About N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide

N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide (PubChem CID 174451033) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide
PubChem CID174451033
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC NameN-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide
SMILESNCCC[C@H](C=O)NC(=O)c1cccnc1Cl
InChIInChI=1S/C11H14ClN3O2/c12-10-9(4-2-6-14-10)11(17)15-8(7-16)3-1-5-13/h2,4,6-8H,1,3,5,13H2,(H,15,17)/t8-/m1/s1
InChIKeyUQSQQYDOQRJCGD-MRVPVSSYSA-N
XLogP0.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
CID 102561066
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid
CID 103602693
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 61073257
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide (CID 174451033) is N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide is NCCC[C@H](C=O)NC(=O)c1cccnc1Cl.
What is the InChIKey of N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide?
The InChIKey is UQSQQYDOQRJCGD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-9(4-2-6-14-10)11(17)15-8(7-16)3-1-5-13/h2,4,6-8H,1,3,5,13H2,(H,15,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide?
N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide has a molecular weight of 255.71 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 174451033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).