5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C20H28N4O — CID 97442624

IUPAC5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCCCN(CC)C(=O)c1nc2c(n1C)CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H28N4O/c1-4-12-24(5-2)20(25)19-21-17-15-23(13-11-18(17)22(19)3)14-16-9-7-6-8-10-16/h6-10H,4-5,11-15H2,1-3H3
InChIKeyDUQYISHTZIUOHQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.85
Rot. Bonds6

About 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 97442624) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID97442624
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCCCN(CC)C(=O)c1nc2c(n1C)CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H28N4O/c1-4-12-24(5-2)20(25)19-21-17-15-23(13-11-18(17)22(19)3)14-16-9-7-6-8-10-16/h6-10H,4-5,11-15H2,1-3H3
InChIKeyDUQYISHTZIUOHQ-UHFFFAOYSA-N
XLogP2.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97442621
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
11-benzyl-N-[2-(diethylamino)ethyl]-2-methyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 53053673
(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 97442663
(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 97442661
[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 110027649
5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160802
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 46839896
2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 82588919
2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109309414
3-benzyl-N-ethyl-N-(2-hydroxyethyl)-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
CID 92591062
1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076187

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 97442624) is 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CCCN(CC)C(=O)c1nc2c(n1C)CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is DUQYISHTZIUOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-12-24(5-2)20(25)19-21-17-15-23(13-11-18(17)22(19)3)14-16-9-7-6-8-10-16/h6-10H,4-5,11-15H2,1-3H3.
What are the key properties of 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 97442624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).