4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide

C15H12ClN3O2 — CID 134526568

IUPAC4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(CNC(=O)c1cc(-c2ccc(Cl)cc2)ccn1)N=O
InChIInChI=1S/C15H12ClN3O2/c1-10(19-21)9-18-15(20)14-8-12(6-7-17-14)11-2-4-13(16)5-3-11/h2-8H,1,9H2,(H,18,20)
InChIKeyFVGOPXASOBYXJC-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.41
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide

4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide (PubChem CID 134526568) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide
PubChem CID134526568
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(CNC(=O)c1cc(-c2ccc(Cl)cc2)ccn1)N=O
InChIInChI=1S/C15H12ClN3O2/c1-10(19-21)9-18-15(20)14-8-12(6-7-17-14)11-2-4-13(16)5-3-11/h2-8H,1,9H2,(H,18,20)
InChIKeyFVGOPXASOBYXJC-UHFFFAOYSA-N
XLogP3.41
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]amino]acetate
CID 24891148
4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301361
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
4-[4-(4-chlorophenyl)-2-pyridinyl]-4-oxobutanoic acid
CID 153093605
methyl 4-[4-(4-chlorophenyl)-2-pyridinyl]-4-oxobutanoate
CID 146745627
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide (CID 134526568) is 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide is C=C(CNC(=O)c1cc(-c2ccc(Cl)cc2)ccn1)N=O.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide?
The InChIKey is FVGOPXASOBYXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-10(19-21)9-18-15(20)14-8-12(6-7-17-14)11-2-4-13(16)5-3-11/h2-8H,1,9H2,(H,18,20).
What are the key properties of 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide?
4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-nitrosoprop-2-enyl)pyridine-2-carboxamide is sourced from PubChem (CID 134526568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).