N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide

C14H14ClN3O — CID 110443744

IUPACN-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1cnccn1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClN3O/c1-14(2,10-4-3-5-11(15)8-10)18-13(19)12-9-16-6-7-17-12/h3-9H,1-2H3,(H,18,19)
InChIKeyKWMCJRQSMGCOCH-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.80
Rot. Bonds3

About N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide

N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide (PubChem CID 110443744) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide
PubChem CID110443744
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1cnccn1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClN3O/c1-14(2,10-4-3-5-11(15)8-10)18-13(19)12-9-16-6-7-17-12/h3-9H,1-2H3,(H,18,19)
InChIKeyKWMCJRQSMGCOCH-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-1-pyrazin-2-ylethanol
CID 63969631
N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 110445853
N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide
CID 75372727
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069
1-[2-(3-chlorophenyl)propan-2-yl]-3-(1H-1,2,4-triazol-5-yl)urea
CID 110490622
N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 75508216
[(1R)-2-(4-chlorophenyl)-1-[[2-methyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]ethyl]boronic acid
CID 25262571
N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110471801
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate
CID 86576933
5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide
CID 155256824

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide (CID 110443744) is N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide is CC(C)(NC(=O)c1cnccn1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is KWMCJRQSMGCOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-14(2,10-4-3-5-11(15)8-10)18-13(19)12-9-16-6-7-17-12/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide?
N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 110443744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).