3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide

C10H12ClN3O2 — CID 66484526

IUPAC3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-6(9(15)12-2)14-10(16)7-3-4-13-5-8(7)11/h3-6H,1-2H3,(H,12,15)(H,14,16)
InChIKeyKXZQYTWWLVCSEP-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.60
Rot. Bonds3

About 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide

3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 66484526) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID66484526
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-6(9(15)12-2)14-10(16)7-3-4-13-5-8(7)11/h3-6H,1-2H3,(H,12,15)(H,14,16)
InChIKeyKXZQYTWWLVCSEP-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

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Related Compounds

(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105069443
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 61073257
3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 66484690
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 66484526) is 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide is CNC(=O)C(C)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is KXZQYTWWLVCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6(9(15)12-2)14-10(16)7-3-4-13-5-8(7)11/h3-6H,1-2H3,(H,12,15)(H,14,16).
What are the key properties of 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-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 3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 66484526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).