N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide

C13H13N3O — CID 7921930

IUPACN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccccn1
InChIInChI=1S/C13H13N3O/c17-13(11-6-1-2-7-14-11)16-15-12-8-9-4-3-5-10(9)12/h1-4,6-7,9-10H,5,8H2,(H,16,17)/b15-12-/t9-,10-/m1/s1
InChIKeyVIAAVXSMJUXRTG-HDNPNFOBSA-N
MW227.27 g/mol
LogP1.76
Rot. Bonds2

About N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide

N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide (PubChem CID 7921930) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide
PubChem CID7921930
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccccn1
InChIInChI=1S/C13H13N3O/c17-13(11-6-1-2-7-14-11)16-15-12-8-9-4-3-5-10(9)12/h1-4,6-7,9-10H,5,8H2,(H,16,17)/b15-12-/t9-,10-/m1/s1
InChIKeyVIAAVXSMJUXRTG-HDNPNFOBSA-N
XLogP1.76
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide (CID 7921930) is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide is O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccccn1.
What is the InChIKey of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide?
The InChIKey is VIAAVXSMJUXRTG-HDNPNFOBSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(11-6-1-2-7-14-11)16-15-12-8-9-4-3-5-10(9)12/h1-4,6-7,9-10H,5,8H2,(H,16,17)/b15-12-/t9-,10-/m1/s1.
What are the key properties of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide?
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 7921930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).