6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide

C12H12N4O — CID 135476855

IUPAC6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc[nH]2)cn1
InChIInChI=1S/C12H12N4O/c1-9-4-5-10(7-14-9)12(17)16-15-8-11-3-2-6-13-11/h2-8,13H,1H3,(H,16,17)/b15-8-
InChIKeyBVRMQOJUWNDTEL-NVNXTCNLSA-N
MW228.26 g/mol
LogP1.48
Rot. Bonds3

About 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide

6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 135476855) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID135476855
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc[nH]2)cn1
InChIInChI=1S/C12H12N4O/c1-9-4-5-10(7-14-9)12(17)16-15-8-11-3-2-6-13-11/h2-8,13H,1H3,(H,16,17)/b15-8-
InChIKeyBVRMQOJUWNDTEL-NVNXTCNLSA-N
XLogP1.48
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.48
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'}

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Related Compounds

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
7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11380404
3-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11514482
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
6-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190881
6-(propan-2-yl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190882
6,6-dimethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190885
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide (CID 135476855) is 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C\c2ccc[nH]2)cn1.
What is the InChIKey of 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is BVRMQOJUWNDTEL-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-4-5-10(7-14-9)12(17)16-15-8-11-3-2-6-13-11/h2-8,13H,1H3,(H,16,17)/b15-8-.
What are the key properties of 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 228.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135476855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).