2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide

C20H23N5O — CID 126809690

IUPAC2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCC(C)Cc1ncc(C(=O)N(Cc2ccncc2)Cc2cccnc2)[nH]1
InChIInChI=1S/C20H23N5O/c1-15(2)10-19-23-12-18(24-19)20(26)25(13-16-5-8-21-9-6-16)14-17-4-3-7-22-11-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,23,24)
InChIKeyWINAWKMCXWLTCN-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.24
Rot. Bonds7

About 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide

2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide (PubChem CID 126809690) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
PubChem CID126809690
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCC(C)Cc1ncc(C(=O)N(Cc2ccncc2)Cc2cccnc2)[nH]1
InChIInChI=1S/C20H23N5O/c1-15(2)10-19-23-12-18(24-19)20(26)25(13-16-5-8-21-9-6-16)14-17-4-3-7-22-11-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,23,24)
InChIKeyWINAWKMCXWLTCN-UHFFFAOYSA-N
XLogP3.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-2-pyridin-3-yl-1H-imidazole-5-carboxamide
CID 59768233
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 86906625
1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 56789484
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792706
2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78811624
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
3-[acetyl(pyridin-3-ylmethyl)amino]-2-methylpropanoic acid
CID 82323200
2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56789486
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
2-bromo-5-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78816281

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide (CID 126809690) is 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide is CC(C)Cc1ncc(C(=O)N(Cc2ccncc2)Cc2cccnc2)[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The InChIKey is WINAWKMCXWLTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(2)10-19-23-12-18(24-19)20(26)25(13-16-5-8-21-9-6-16)14-17-4-3-7-22-11-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 126809690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).