N-(prop-2-enylideneamino)pyridine-3-carboxamide

C9H9N3O — CID 4591479

IUPACN-(prop-2-enylideneamino)pyridine-3-carboxamide
SMILESC=CC=NNC(=O)c1cccnc1
InChIInChI=1S/C9H9N3O/c1-2-5-11-12-9(13)8-4-3-6-10-7-8/h2-7H,1H2,(H,12,13)
InChIKeyJIFNCTDQAJQGHF-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.98
Rot. Bonds3

About N-(prop-2-enylideneamino)pyridine-3-carboxamide

N-(prop-2-enylideneamino)pyridine-3-carboxamide (PubChem CID 4591479) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(prop-2-enylideneamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(prop-2-enylideneamino)pyridine-3-carboxamide
PubChem CID4591479
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-(prop-2-enylideneamino)pyridine-3-carboxamide
SMILESC=CC=NNC(=O)c1cccnc1
InChIInChI=1S/C9H9N3O/c1-2-5-11-12-9(13)8-4-3-6-10-7-8/h2-7H,1H2,(H,12,13)
InChIKeyJIFNCTDQAJQGHF-UHFFFAOYSA-N
XLogP0.98
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(prop-2-enylideneamino)pyridine-4-carboxamide
CID 141269925
N-[(Z)-prop-2-enylideneamino]benzamide
CID 5356202
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
CID 7315708
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[(E)-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylideneamino]pyridine-3-carboxamide
CID 57393166

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylideneamino)pyridine-3-carboxamide?
The IUPAC name of N-(prop-2-enylideneamino)pyridine-3-carboxamide (CID 4591479) is N-(prop-2-enylideneamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(prop-2-enylideneamino)pyridine-3-carboxamide?
The canonical SMILES for N-(prop-2-enylideneamino)pyridine-3-carboxamide is C=CC=NNC(=O)c1cccnc1.
What is the InChIKey of N-(prop-2-enylideneamino)pyridine-3-carboxamide?
The InChIKey is JIFNCTDQAJQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-5-11-12-9(13)8-4-3-6-10-7-8/h2-7H,1H2,(H,12,13).
What are the key properties of N-(prop-2-enylideneamino)pyridine-3-carboxamide?
N-(prop-2-enylideneamino)pyridine-3-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylideneamino)pyridine-3-carboxamide is sourced from PubChem (CID 4591479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).