N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide

C12H10N4O — CID 577497

IUPACN-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccccn1)c1cccnc1
InChIInChI=1S/C12H10N4O/c17-12(10-4-3-6-13-8-10)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,17)
InChIKeyCOOCBOGUOCCDNY-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.24
Rot. Bonds3

About N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide

N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide (PubChem CID 577497) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
PubChem CID577497
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccccn1)c1cccnc1
InChIInChI=1S/C12H10N4O/c17-12(10-4-3-6-13-8-10)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,17)
InChIKeyCOOCBOGUOCCDNY-UHFFFAOYSA-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

N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139983800
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168
2-benzamido-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4111465
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110510127

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide (CID 577497) is N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide is O=C(NN=Cc1ccccn1)c1cccnc1.
What is the InChIKey of N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide?
The InChIKey is COOCBOGUOCCDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-12(10-4-3-6-13-8-10)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,17).
What are the key properties of N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide?
N-(pyridin-2-ylmethylideneamino)pyridine-3-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-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide is sourced from PubChem (CID 577497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).