(4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone

C14H18N4O — CID 115498575

IUPAC(4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCc1ncn(C(=O)c2cccc(NC(C)C)n2)c1C
InChIInChI=1S/C14H18N4O/c1-9(2)16-13-7-5-6-12(17-13)14(19)18-8-15-10(3)11(18)4/h5-9H,1-4H3,(H,16,17)
InChIKeyAOMCVNRLKXLTRK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.40
Rot. Bonds3

About (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone

(4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 115498575) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
PubChem CID115498575
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCc1ncn(C(=O)c2cccc(NC(C)C)n2)c1C
InChIInChI=1S/C14H18N4O/c1-9(2)16-13-7-5-6-12(17-13)14(19)18-8-15-10(3)11(18)4/h5-9H,1-4H3,(H,16,17)
InChIKeyAOMCVNRLKXLTRK-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498845
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 84571130
N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498522
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498285
(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498252
N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498309
N-(4-hydroxyphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 84570861

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone (CID 115498575) is (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone is Cc1ncn(C(=O)c2cccc(NC(C)C)n2)c1C.
What is the InChIKey of (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is AOMCVNRLKXLTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)16-13-7-5-6-12(17-13)14(19)18-8-15-10(3)11(18)4/h5-9H,1-4H3,(H,16,17).
What are the key properties of (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
(4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 258.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 115498575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).