5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide

C14H12ClN5O — CID 62269659

IUPAC5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cnc(NN)c(Cl)c2)cc1
InChIInChI=1S/C14H12ClN5O/c15-12-5-11(8-18-13(12)20-17)14(21)19-7-10-3-1-9(6-16)2-4-10/h1-5,8H,7,17H2,(H,18,20)(H,19,21)
InChIKeyNUHGUVDWIHQNIX-UHFFFAOYSA-N
MW301.74 g/mol
LogP1.82
Rot. Bonds4

About 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide

5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide (PubChem CID 62269659) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
PubChem CID62269659
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cnc(NN)c(Cl)c2)cc1
InChIInChI=1S/C14H12ClN5O/c15-12-5-11(8-18-13(12)20-17)14(21)19-7-10-3-1-9(6-16)2-4-10/h1-5,8H,7,17H2,(H,18,20)(H,19,21)
InChIKeyNUHGUVDWIHQNIX-UHFFFAOYSA-N
XLogP1.82
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248864
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
CID 62269661
5-chloro-6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62989408
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418
5-chloro-6-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62840708
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
CID 89292810
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617
N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641090

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide (CID 62269659) is 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide is N#Cc1ccc(CNC(=O)c2cnc(NN)c(Cl)c2)cc1.
What is the InChIKey of 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is NUHGUVDWIHQNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-12-5-11(8-18-13(12)20-17)14(21)19-7-10-3-1-9(6-16)2-4-10/h1-5,8H,7,17H2,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide?
5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62269659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).