(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

C16H22N4O3 — CID 124806785

IUPAC(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCOCCNC(=O)[C@@H]1CN(Cc2ccoc2)Cc2ncn(C)c21
InChIInChI=1S/C16H22N4O3/c1-19-11-18-14-9-20(7-12-3-5-23-10-12)8-13(15(14)19)16(21)17-4-6-22-2/h3,5,10-11,13H,4,6-9H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyBLYCTHARGVUOLN-CYBMUJFWSA-N
MW318.38 g/mol
LogP0.88
Rot. Bonds6

About (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 124806785) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID124806785
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCOCCNC(=O)[C@@H]1CN(Cc2ccoc2)Cc2ncn(C)c21
InChIInChI=1S/C16H22N4O3/c1-19-11-18-14-9-20(7-12-3-5-23-10-12)8-13(15(14)19)16(21)17-4-6-22-2/h3,5,10-11,13H,4,6-9H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyBLYCTHARGVUOLN-CYBMUJFWSA-N
XLogP0.88
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131658412
N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677678
5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155834456
N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677316
5-(furan-2-ylmethyl)-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131658446
5-(furan-3-ylmethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828384
N-(cyclobutylmethyl)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131663942
(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442688
1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
1-[2-(furan-3-yl)ethyl]-3-(2-methoxyethyl)urea
CID 71798548
N-(2-methoxyethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118747205
(7R)-5-cyclopentyl-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124808407

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (CID 124806785) is (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is COCCNC(=O)[C@@H]1CN(Cc2ccoc2)Cc2ncn(C)c21.
What is the InChIKey of (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is BLYCTHARGVUOLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19-11-18-14-9-20(7-12-3-5-23-10-12)8-13(15(14)19)16(21)17-4-6-22-2/h3,5,10-11,13H,4,6-9H2,1-2H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 124806785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).