(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C18H24N4O2 — CID 97442688

IUPAC(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCOCCNC(=O)[C@H]1c2c(ncn2C)CCN1Cc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-21-13-20-15-8-10-22(12-14-6-4-3-5-7-14)17(16(15)21)18(23)19-9-11-24-2/h3-7,13,17H,8-12H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeyOBRRHHCQDCIGBL-QGZVFWFLSA-N
MW328.42 g/mol
LogP1.28
Rot. Bonds6

About (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 97442688) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID97442688
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCOCCNC(=O)[C@H]1c2c(ncn2C)CCN1Cc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-21-13-20-15-8-10-22(12-14-6-4-3-5-7-14)17(16(15)21)18(23)19-9-11-24-2/h3-7,13,17H,8-12H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeyOBRRHHCQDCIGBL-QGZVFWFLSA-N
XLogP1.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 134078502
5-benzyl-N-(3-morpholin-4-ylpropyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131660694
(4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97361522
N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131658412
5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131660347
5-benzyl-N-(2,4-difluorophenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131642650
(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124806785
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677678
[(4S)-5-benzyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 97361571
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53202272
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184

Frequently Asked Questions

What is the IUPAC name of (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 97442688) is (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is COCCNC(=O)[C@H]1c2c(ncn2C)CCN1Cc1ccccc1.
What is the InChIKey of (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is OBRRHHCQDCIGBL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-13-20-15-8-10-22(12-14-6-4-3-5-7-14)17(16(15)21)18(23)19-9-11-24-2/h3-7,13,17H,8-12H2,1-2H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 97442688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).