2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide

C13H12N4O — CID 24839706

IUPAC2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2cccnc2)ccn1
InChIInChI=1S/C13H12N4O/c1-10-7-12(4-6-15-10)13(18)17-16-9-11-3-2-5-14-8-11/h2-9H,1H3,(H,17,18)/b16-9-
InChIKeyQZLLXNBLMOCMKM-SXGWCWSVSA-N
MW240.27 g/mol
LogP1.55
Rot. Bonds3

About 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide

2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide (PubChem CID 24839706) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
PubChem CID24839706
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2cccnc2)ccn1
InChIInChI=1S/C13H12N4O/c1-10-7-12(4-6-15-10)13(18)17-16-9-11-3-2-5-14-8-11/h2-9H,1H3,(H,17,18)/b16-9-
InChIKeyQZLLXNBLMOCMKM-SXGWCWSVSA-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

6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3478263
3-bromo-4-methoxy-N-(pyridin-3-ylmethylideneamino)benzamide
CID 681048
2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-pyridin-3-ylmethylideneamino]carbamoyl]benzoic acid
CID 90154946
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 724393
2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
CID 74935568
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6875653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide (CID 24839706) is 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide is Cc1cc(C(=O)N/N=C\c2cccnc2)ccn1.
What is the InChIKey of 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide?
The InChIKey is QZLLXNBLMOCMKM-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10-7-12(4-6-15-10)13(18)17-16-9-11-3-2-5-14-8-11/h2-9H,1H3,(H,17,18)/b16-9-.
What are the key properties of 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide?
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-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 2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 24839706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).