N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide

C21H22N4O — CID 56818547

IUPACN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCc3ccc(-n4ccnc4C)nc3)CC2)c1
InChIInChI=1S/C21H22N4O/c1-15-4-3-5-18(12-15)21(8-9-21)20(26)24-14-17-6-7-19(23-13-17)25-11-10-22-16(25)2/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,26)
InChIKeyMRKFJEFDHJDYAN-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.23
Rot. Bonds5

About N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 56818547) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID56818547
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCc3ccc(-n4ccnc4C)nc3)CC2)c1
InChIInChI=1S/C21H22N4O/c1-15-4-3-5-18(12-15)21(8-9-21)20(26)24-14-17-6-7-19(23-13-17)25-11-10-22-16(25)2/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,26)
InChIKeyMRKFJEFDHJDYAN-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56818493
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
CID 87023050
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 51087807
2-methyl-1-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 111852666
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 87023039
N',3,3-trimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111738840
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71888414
(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide (CID 56818547) is N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)NCc3ccc(-n4ccnc4C)nc3)CC2)c1.
What is the InChIKey of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is MRKFJEFDHJDYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-4-3-5-18(12-15)21(8-9-21)20(26)24-14-17-6-7-19(23-13-17)25-11-10-22-16(25)2/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,26).
What are the key properties of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56818547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).