N-(prop-2-enylideneamino)pyridine-4-carboxamide

C9H9N3O — CID 141269925

IUPACN-(prop-2-enylideneamino)pyridine-4-carboxamide
SMILESC=CC=NNC(=O)c1ccncc1
InChIInChI=1S/C9H9N3O/c1-2-5-11-12-9(13)8-3-6-10-7-4-8/h2-7H,1H2,(H,12,13)
InChIKeyDFJMKSHIRBPGLG-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.98
Rot. Bonds3

About N-(prop-2-enylideneamino)pyridine-4-carboxamide

N-(prop-2-enylideneamino)pyridine-4-carboxamide (PubChem CID 141269925) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(prop-2-enylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(prop-2-enylideneamino)pyridine-4-carboxamide
PubChem CID141269925
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-(prop-2-enylideneamino)pyridine-4-carboxamide
SMILESC=CC=NNC(=O)c1ccncc1
InChIInChI=1S/C9H9N3O/c1-2-5-11-12-9(13)8-3-6-10-7-4-8/h2-7H,1H2,(H,12,13)
InChIKeyDFJMKSHIRBPGLG-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-[(Z)-prop-2-enylideneamino]benzamide
CID 5356202
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide
CID 58684890
N-[(Z)-propylideneamino]pyridine-4-carboxamide
CID 6119038
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
(2S,3S,4S,5S,6Z)-2,3,4,5-tetrahydroxy-6-(pyridine-4-carbonylhydrazinylidene)hexanoic acid
CID 51404023
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
CID 170219541

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylideneamino)pyridine-4-carboxamide?
The IUPAC name of N-(prop-2-enylideneamino)pyridine-4-carboxamide (CID 141269925) is N-(prop-2-enylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(prop-2-enylideneamino)pyridine-4-carboxamide?
The canonical SMILES for N-(prop-2-enylideneamino)pyridine-4-carboxamide is C=CC=NNC(=O)c1ccncc1.
What is the InChIKey of N-(prop-2-enylideneamino)pyridine-4-carboxamide?
The InChIKey is DFJMKSHIRBPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-5-11-12-9(13)8-3-6-10-7-4-8/h2-7H,1H2,(H,12,13).
What are the key properties of N-(prop-2-enylideneamino)pyridine-4-carboxamide?
N-(prop-2-enylideneamino)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 141269925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).