2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

C10H12ClN3O2 — CID 61073257

IUPAC2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1cccnc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-6(9(15)12-2)14-10(16)7-4-3-5-13-8(7)11/h3-6H,1-2H3,(H,12,15)(H,14,16)
InChIKeyGGTZWDNGAYYNIW-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.60
Rot. Bonds3

About 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 61073257) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID61073257
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1cccnc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-6(9(15)12-2)14-10(16)7-4-3-5-13-8(7)11/h3-6H,1-2H3,(H,12,15)(H,14,16)
InChIKeyGGTZWDNGAYYNIW-UHFFFAOYSA-N
XLogP0.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
CID 60600746
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
2-chloro-N-propan-2-yloxypyridine-3-carboxamide
CID 131020974
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 61073257) is 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is CNC(=O)C(C)NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is GGTZWDNGAYYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6(9(15)12-2)14-10(16)7-4-3-5-13-8(7)11/h3-6H,1-2H3,(H,12,15)(H,14,16).
What are the key properties of 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 61073257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).