N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide

C19H22N4O4 — CID 176503729

IUPACN-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide
SMILESCOc1cc(C(=O)N2CC=CCC2)cc(NC(=O)c2cncn2C)c1OC
InChIInChI=1S/C19H22N4O4/c1-22-12-20-11-15(22)18(24)21-14-9-13(10-16(26-2)17(14)27-3)19(25)23-7-5-4-6-8-23/h4-5,9-12H,6-8H2,1-3H3,(H,21,24)
InChIKeyCUGYXKJMTHTADT-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.09
Rot. Bonds5

About N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide

N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide (PubChem CID 176503729) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide
PubChem CID176503729
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide
SMILESCOc1cc(C(=O)N2CC=CCC2)cc(NC(=O)c2cncn2C)c1OC
InChIInChI=1S/C19H22N4O4/c1-22-12-20-11-15(22)18(24)21-14-9-13(10-16(26-2)17(14)27-3)19(25)23-7-5-4-6-8-23/h4-5,9-12H,6-8H2,1-3H3,(H,21,24)
InChIKeyCUGYXKJMTHTADT-UHFFFAOYSA-N
XLogP2.09
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 176504859
methyl 4-chloro-3-[(3-methylimidazole-4-carbonyl)amino]benzoate
CID 110861825
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119593154
N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119622029
N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide
CID 175642350
5-(pyrrolidine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109102640
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
N-(2-methoxyethoxy)-3-methylimidazole-4-carboxamide
CID 103511267
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 6970799
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide (CID 176503729) is N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide is COc1cc(C(=O)N2CC=CCC2)cc(NC(=O)c2cncn2C)c1OC.
What is the InChIKey of N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is CUGYXKJMTHTADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-12-20-11-15(22)18(24)21-14-9-13(10-16(26-2)17(14)27-3)19(25)23-7-5-4-6-8-23/h4-5,9-12H,6-8H2,1-3H3,(H,21,24).
What are the key properties of N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide?
N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 176503729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).