N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide

C9H10ClN3O2 — CID 66464223

IUPACN-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1Cl)C(N)=O
InChIInChI=1S/C9H10ClN3O2/c1-5(8(11)14)13-9(15)6-2-3-12-4-7(6)10/h2-5H,1H3,(H2,11,14)(H,13,15)
InChIKeyCPCAYHYIINEIRR-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.34
Rot. Bonds3

About N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide

N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide (PubChem CID 66464223) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
PubChem CID66464223
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1Cl)C(N)=O
InChIInChI=1S/C9H10ClN3O2/c1-5(8(11)14)13-9(15)6-2-3-12-4-7(6)10/h2-5H,1H3,(H2,11,14)(H,13,15)
InChIKeyCPCAYHYIINEIRR-UHFFFAOYSA-N
XLogP0.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.34
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-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 81243304
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
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135153
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
(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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide (CID 66464223) is N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide is CC(NC(=O)c1ccncc1Cl)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide?
The InChIKey is CPCAYHYIINEIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-5(8(11)14)13-9(15)6-2-3-12-4-7(6)10/h2-5H,1H3,(H2,11,14)(H,13,15).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide has a molecular weight of 227.65 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66464223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).