N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide

C14H18N4O3 — CID 44776032

IUPACN-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCn2ccnc2)c(OC)n1
InChIInChI=1S/C14H18N4O3/c1-20-12-5-4-11(14(17-12)21-2)13(19)16-6-3-8-18-9-7-15-10-18/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,16,19)
InChIKeyOQVOZRCBFVHCFC-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.12
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 44776032) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide
PubChem CID44776032
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCn2ccnc2)c(OC)n1
InChIInChI=1S/C14H18N4O3/c1-20-12-5-4-11(14(17-12)21-2)13(19)16-6-3-8-18-9-7-15-10-18/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,16,19)
InChIKeyOQVOZRCBFVHCFC-UHFFFAOYSA-N
XLogP1.12
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 118609678
4-(5-{[1-(2-Methoxy-pyridine-3-carbonyl)-pyrrolidin-3-ylamino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
CID 10993420
(6-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)pyridin-3-yl)(piperidin-1-yl)methanone
CID 44407955
Sdccgsbi-0659053.P001
CID 53185332
4-[[5-[[[1-(2-Methoxypyridine-3-carbonyl)-2-oxopyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 56667078
3-Pyridinecarboxamide, 6-amino-N-(2-(4-(6-methoxy-2-pyridinyl)-1-piperazinyl)ethyl)-, hydrate
CID 218413
N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46944028
US10407409, Example 21
CID 117601238
N-ethyl-6-{[(5-methyl-2-furyl)methyl]amino}-N-[(1-methyl-1H-imidazol-2-yl)methyl]nicotinamide
CID 42098026
(S)-4-((5-((1-(2-methoxynicotinoyl)-2-oxopyrrolidin-3-ylamino)methyl)-1H-imidazol-1-yl)methyl)benzonitrile
CID 44592989
N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 44775763
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 45831632

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide (CID 44776032) is N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)NCCCn2ccnc2)c(OC)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is OQVOZRCBFVHCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-12-5-4-11(14(17-12)21-2)13(19)16-6-3-8-18-9-7-15-10-18/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,16,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 44776032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).