1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide

C21H22N4O — CID 131933819

IUPAC1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)N(Cc1cccnc1)C1CCCc2ccccc21
InChIInChI=1S/C21H22N4O/c1-24-13-12-23-20(24)21(26)25(15-16-6-5-11-22-14-16)19-10-4-8-17-7-2-3-9-18(17)19/h2-3,5-7,9,11-14,19H,4,8,10,15H2,1H3
InChIKeyBIKWVWLLXSFQJL-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.54
Rot. Bonds4

About 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide

1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide (PubChem CID 131933819) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
PubChem CID131933819
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)N(Cc1cccnc1)C1CCCc2ccccc21
InChIInChI=1S/C21H22N4O/c1-24-13-12-23-20(24)21(26)25(15-16-6-5-11-22-14-16)19-10-4-8-17-7-2-3-9-18(17)19/h2-3,5-7,9,11-14,19H,4,8,10,15H2,1H3
InChIKeyBIKWVWLLXSFQJL-UHFFFAOYSA-N
XLogP3.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 74231372
6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131903028
N-methyl-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793387
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide
CID 42794202
1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97075881
N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51183728
N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
CID 169111215
3-fluoro-N-(pyridin-4-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42697034
2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 46957416
2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 150838311
N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide
CID 43967721

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide (CID 131933819) is 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide is Cn1ccnc1C(=O)N(Cc1cccnc1)C1CCCc2ccccc21.
What is the InChIKey of 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide?
The InChIKey is BIKWVWLLXSFQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24-13-12-23-20(24)21(26)25(15-16-6-5-11-22-14-16)19-10-4-8-17-7-2-3-9-18(17)19/h2-3,5-7,9,11-14,19H,4,8,10,15H2,1H3.
What are the key properties of 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide?
1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide is sourced from PubChem (CID 131933819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).