N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

C11H11N5O — CID 143907242

IUPACN-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESC=NNC(=O)c1cn(-c2cccc(C)n2)cn1
InChIInChI=1S/C11H11N5O/c1-8-4-3-5-10(14-8)16-6-9(13-7-16)11(17)15-12-2/h3-7H,2H2,1H3,(H,15,17)
InChIKeyYBIOXRKDGJLKKM-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.92
Rot. Bonds3

About N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 143907242) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID143907242
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC NameN-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESC=NNC(=O)c1cn(-c2cccc(C)n2)cn1
InChIInChI=1S/C11H11N5O/c1-8-4-3-5-10(14-8)16-6-9(13-7-16)11(17)15-12-2/h3-7H,2H2,1H3,(H,15,17)
InChIKeyYBIOXRKDGJLKKM-UHFFFAOYSA-N
XLogP0.92
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
CID 1485013
1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 1491423
1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea
CID 1485012
1-(6-methyl-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 1491434
methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate
CID 71202553
5-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71061074
N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 143708720
1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid
CID 63343046
(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide
CID 118981155
N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 70657536
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone
CID 1472426
6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide
CID 174020763

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 143907242) is N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is C=NNC(=O)c1cn(-c2cccc(C)n2)cn1.
What is the InChIKey of N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is YBIOXRKDGJLKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-8-4-3-5-10(14-8)16-6-9(13-7-16)11(17)15-12-2/h3-7H,2H2,1H3,(H,15,17).
What are the key properties of N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 143907242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).