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

C10H12ClN3O2 — CID 61217075

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccnc(Cl)c1)C(N)=O
InChIInChI=1S/C10H12ClN3O2/c1-10(2,9(12)16)14-8(15)6-3-4-13-7(11)5-6/h3-5H,1-2H3,(H2,12,16)(H,14,15)
InChIKeyNCZFJNXIDFTMEW-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.73
Rot. Bonds3

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

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide (PubChem CID 61217075) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide
PubChem CID61217075
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccnc(Cl)c1)C(N)=O
InChIInChI=1S/C10H12ClN3O2/c1-10(2,9(12)16)14-8(15)6-3-4-13-7(11)5-6/h3-5H,1-2H3,(H2,12,16)(H,14,15)
InChIKeyNCZFJNXIDFTMEW-UHFFFAOYSA-N
XLogP0.73
TPSA85.08 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 ≤ 50.73
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-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 62184832
3-[(2-chloropyridine-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 113263258
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55047201
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 62187177
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide
CID 103901221
3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104877898
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide (CID 61217075) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide is CC(C)(NC(=O)c1ccnc(Cl)c1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide?
The InChIKey is NCZFJNXIDFTMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-10(2,9(12)16)14-8(15)6-3-4-13-7(11)5-6/h3-5H,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 61217075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).