N-(cycloheptylideneamino)pyridine-3-carboxamide

C13H17N3O — CID 4131498

IUPACN-(cycloheptylideneamino)pyridine-3-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1cccnc1
InChIInChI=1S/C13H17N3O/c17-13(11-6-5-9-14-10-11)16-15-12-7-3-1-2-4-8-12/h5-6,9-10H,1-4,7-8H2,(H,16,17)
InChIKeyUGVRODIUENQCNZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.52
Rot. Bonds2

About N-(cycloheptylideneamino)pyridine-3-carboxamide

N-(cycloheptylideneamino)pyridine-3-carboxamide (PubChem CID 4131498) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(cycloheptylideneamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)pyridine-3-carboxamide
PubChem CID4131498
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(cycloheptylideneamino)pyridine-3-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1cccnc1
InChIInChI=1S/C13H17N3O/c17-13(11-6-5-9-14-10-11)16-15-12-7-3-1-2-4-8-12/h5-6,9-10H,1-4,7-8H2,(H,16,17)
InChIKeyUGVRODIUENQCNZ-UHFFFAOYSA-N
XLogP2.52
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.52
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-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
CID 4124153
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-(cyclododecylideneamino)benzamide
CID 4147051
N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
CID 556058
N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide
CID 9059815
N-(cycloheptylideneamino)-2-pyridin-3-ylacetamide
CID 4206175
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
CID 168874969
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide
CID 156598002
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)pyridine-3-carboxamide?
The IUPAC name of N-(cycloheptylideneamino)pyridine-3-carboxamide (CID 4131498) is N-(cycloheptylideneamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(cycloheptylideneamino)pyridine-3-carboxamide?
The canonical SMILES for N-(cycloheptylideneamino)pyridine-3-carboxamide is O=C(NN=C1CCCCCC1)c1cccnc1.
What is the InChIKey of N-(cycloheptylideneamino)pyridine-3-carboxamide?
The InChIKey is UGVRODIUENQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(11-6-5-9-14-10-11)16-15-12-7-3-1-2-4-8-12/h5-6,9-10H,1-4,7-8H2,(H,16,17).
What are the key properties of N-(cycloheptylideneamino)pyridine-3-carboxamide?
N-(cycloheptylideneamino)pyridine-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)pyridine-3-carboxamide is sourced from PubChem (CID 4131498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).