N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide

C14H11ClN4O2 — CID 81269287

IUPACN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESNCC#Cc1cc(Cl)ccc1NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H11ClN4O2/c15-10-3-4-11(9(6-10)2-1-5-16)19-14(21)12-7-18-13(20)8-17-12/h3-4,6-8H,5,16H2,(H,18,20)(H,19,21)
InChIKeyVOEBEYKCWOALRR-UHFFFAOYSA-N
MW302.72 g/mol
LogP0.99
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 81269287) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID81269287
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESNCC#Cc1cc(Cl)ccc1NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H11ClN4O2/c15-10-3-4-11(9(6-10)2-1-5-16)19-14(21)12-7-18-13(20)8-17-12/h3-4,6-8H,5,16H2,(H,18,20)(H,19,21)
InChIKeyVOEBEYKCWOALRR-UHFFFAOYSA-N
XLogP0.99
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chlorothiophene-2-carboxamide
CID 81270986
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
CID 81262734
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylbutanamide
CID 81271509
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 81262739
1-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-cyclohexylurea
CID 81280608
N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104625901
4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 60826073
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
2-(3-aminoprop-1-ynyl)-N-(2,4-dichlorophenyl)benzamide
CID 60820786
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-chlorobenzamide
CID 60812705
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-methoxy-3-methylbutanamide
CID 103021993
3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 107523760

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 81269287) is N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide is NCC#Cc1cc(Cl)ccc1NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is VOEBEYKCWOALRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-10-3-4-11(9(6-10)2-1-5-16)19-14(21)12-7-18-13(20)8-17-12/h3-4,6-8H,5,16H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 81269287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).