N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide

C9H12N4O — CID 58684890

IUPACN-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide
SMILESNCC/C=N/NC(=O)c1ccncc1
InChIInChI=1S/C9H12N4O/c10-4-1-5-12-13-9(14)8-2-6-11-7-3-8/h2-3,5-7H,1,4,10H2,(H,13,14)/b12-5+
InChIKeyNJJMNNPGULZMKI-LFYBBSHMSA-N
MW192.22 g/mol
LogP0.15
Rot. Bonds4

About N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide

N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide (PubChem CID 58684890) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide
PubChem CID58684890
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide
SMILESNCC/C=N/NC(=O)c1ccncc1
InChIInChI=1S/C9H12N4O/c10-4-1-5-12-13-9(14)8-2-6-11-7-3-8/h2-3,5-7H,1,4,10H2,(H,13,14)/b12-5+
InChIKeyNJJMNNPGULZMKI-LFYBBSHMSA-N
XLogP0.15
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-propylideneamino]pyridine-4-carboxamide
CID 6119038
N-(prop-2-enylideneamino)pyridine-4-carboxamide
CID 141269925
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane
CID 142936010
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
CID 6902849
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
CID 170219541
CID 69045386
CID 69045386
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide (CID 58684890) is N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide is NCC/C=N/NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide?
The InChIKey is NJJMNNPGULZMKI-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H12N4O/c10-4-1-5-12-13-9(14)8-2-6-11-7-3-8/h2-3,5-7H,1,4,10H2,(H,13,14)/b12-5+.
What are the key properties of N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide?
N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 58684890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).