N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide

C13H14N4O — CID 135854159

IUPACN-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1cc(C)c(/C=N\NC(=O)c2cccnc2)[nH]1
InChIInChI=1S/C13H14N4O/c1-9-6-10(2)16-12(9)8-15-17-13(18)11-4-3-5-14-7-11/h3-8,16H,1-2H3,(H,17,18)/b15-8-
InChIKeyMITWZMQOPGVWKC-NVNXTCNLSA-N
MW242.28 g/mol
LogP1.79
Rot. Bonds3

About N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide

N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135854159) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID135854159
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1cc(C)c(/C=N\NC(=O)c2cccnc2)[nH]1
InChIInChI=1S/C13H14N4O/c1-9-6-10(2)16-12(9)8-15-17-13(18)11-4-3-5-14-7-11/h3-8,16H,1-2H3,(H,17,18)/b15-8-
InChIKeyMITWZMQOPGVWKC-NVNXTCNLSA-N
XLogP1.79
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1E)-pyridin-2-ylmethylene]isonicotinohydrazide
CID 5469565
Nicotinanilide
CID 74463
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 5333835
6-Methylnicotinamide
CID 96351
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
Di-2-pyridyl ketone benzoylhydrazone
CID 688285
2-Methylnicotinamide
CID 12243705
7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11380404
7,7-dimethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11630500
7-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11658652
Pha-767491
CID 11715767

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide (CID 135854159) is N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide is Cc1cc(C)c(/C=N\NC(=O)c2cccnc2)[nH]1.
What is the InChIKey of N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is MITWZMQOPGVWKC-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-6-10(2)16-12(9)8-15-17-13(18)11-4-3-5-14-7-11/h3-8,16H,1-2H3,(H,17,18)/b15-8-.
What are the key properties of N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135854159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).