3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide

C17H14F2N4O2 — CID 10246879

IUPAC3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide
SMILESC=CCONC(=O)c1cc2ncn(Cc3cccc(F)c3F)c2cn1
InChIInChI=1S/C17H14F2N4O2/c1-2-6-25-22-17(24)14-7-13-15(8-20-14)23(10-21-13)9-11-4-3-5-12(18)16(11)19/h2-5,7-8,10H,1,6,9H2,(H,22,24)
InChIKeyFUSORRBQOPGBFJ-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.61
Rot. Bonds6

About 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide

3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 10246879) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID10246879
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide
SMILESC=CCONC(=O)c1cc2ncn(Cc3cccc(F)c3F)c2cn1
InChIInChI=1S/C17H14F2N4O2/c1-2-6-25-22-17(24)14-7-13-15(8-20-14)23(10-21-13)9-11-4-3-5-12(18)16(11)19/h2-5,7-8,10H,1,6,9H2,(H,22,24)
InChIKeyFUSORRBQOPGBFJ-UHFFFAOYSA-N
XLogP2.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide (CID 10246879) is 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide is C=CCONC(=O)c1cc2ncn(Cc3cccc(F)c3F)c2cn1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is FUSORRBQOPGBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-2-6-25-22-17(24)14-7-13-15(8-20-14)23(10-21-13)9-11-4-3-5-12(18)16(11)19/h2-5,7-8,10H,1,6,9H2,(H,22,24).
What are the key properties of 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide?
3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]-N-prop-2-enoxyimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 10246879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).