5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C21H23N5O — CID 97442621

IUPAC5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCc2ccncc2)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H23N5O/c1-25-19-9-12-26(14-17-5-3-2-4-6-17)15-18(19)24-20(25)21(27)23-13-16-7-10-22-11-8-16/h2-8,10-11H,9,12-15H2,1H3,(H,23,27)
InChIKeyVDDDSRWYEMIMJP-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.30
Rot. Bonds5

About 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 97442621) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID97442621
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCc2ccncc2)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H23N5O/c1-25-19-9-12-26(14-17-5-3-2-4-6-17)15-18(19)24-20(25)21(27)23-13-16-7-10-22-11-8-16/h2-8,10-11H,9,12-15H2,1H3,(H,23,27)
InChIKeyVDDDSRWYEMIMJP-UHFFFAOYSA-N
XLogP2.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97442624
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CID 39046968
N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143204
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97407262
N-benzyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 46943272
1-N-phenyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076518
1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45163222
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068878
11-benzyl-N-[(3-chlorophenyl)methyl]-2-methyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 53053709
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
CID 97382167

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 97442621) is 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cn1c(C(=O)NCc2ccncc2)nc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is VDDDSRWYEMIMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25-19-9-12-26(14-17-5-3-2-4-6-17)15-18(19)24-20(25)21(27)23-13-16-7-10-22-11-8-16/h2-8,10-11H,9,12-15H2,1H3,(H,23,27).
What are the key properties of 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 97442621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).