N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide

C12H10N4O — CID 6870358

IUPACN-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1ccccn1
InChIInChI=1S/C12H10N4O/c17-12(11-5-1-2-7-14-11)16-15-9-10-4-3-6-13-8-10/h1-9H,(H,16,17)/b15-9+
InChIKeyVPHZOSYFXOZIOS-OQLLNIDSSA-N
MW226.24 g/mol
LogP1.24
Rot. Bonds3

About N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide

N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide (PubChem CID 6870358) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
PubChem CID6870358
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1ccccn1
InChIInChI=1S/C12H10N4O/c17-12(11-5-1-2-7-14-11)16-15-9-10-4-3-6-13-8-10/h1-9H,(H,16,17)/b15-9+
InChIKeyVPHZOSYFXOZIOS-OQLLNIDSSA-N
XLogP1.24
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
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

heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 139203756
nonanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 139203759
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide (CID 6870358) is N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1cccnc1)c1ccccn1.
What is the InChIKey of N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide?
The InChIKey is VPHZOSYFXOZIOS-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H10N4O/c17-12(11-5-1-2-7-14-11)16-15-9-10-4-3-6-13-8-10/h1-9H,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide?
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide has a molecular weight of 226.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 6870358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).