6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide

C13H12N4O — CID 6070249

IUPAC6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cccnc2)cn1
InChIInChI=1S/C13H12N4O/c1-10-4-5-12(9-15-10)13(18)17-16-8-11-3-2-6-14-7-11/h2-9H,1H3,(H,17,18)/b16-8-
InChIKeyPRLRBDBDHJPPFT-PXNMLYILSA-N
MW240.27 g/mol
LogP1.55
Rot. Bonds3

About 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide

6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 6070249) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID6070249
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cccnc2)cn1
InChIInChI=1S/C13H12N4O/c1-10-4-5-12(9-15-10)13(18)17-16-8-11-3-2-6-14-7-11/h2-9H,1H3,(H,17,18)/b16-8-
InChIKeyPRLRBDBDHJPPFT-PXNMLYILSA-N
XLogP1.55
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.55
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-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3478263
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6875653
N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875109
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643416
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide (CID 6070249) is 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C\c2cccnc2)cn1.
What is the InChIKey of 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is PRLRBDBDHJPPFT-PXNMLYILSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10-4-5-12(9-15-10)13(18)17-16-8-11-3-2-6-14-7-11/h2-9H,1H3,(H,17,18)/b16-8-.
What are the key properties of 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide?
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6070249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).