4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide

C20H17ClN4O2 — CID 50758284

IUPAC4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1nc2cccnc2n1-c1cc(C(=O)NCCc2ccco2)ccc1Cl
InChIInChI=1S/C20H17ClN4O2/c1-13-24-17-5-2-9-22-19(17)25(13)18-12-14(6-7-16(18)21)20(26)23-10-8-15-4-3-11-27-15/h2-7,9,11-12H,8,10H2,1H3,(H,23,26)
InChIKeyBXYUATBFRLMIBF-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.95
Rot. Bonds5

About 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide

4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 50758284) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
PubChem CID50758284
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1nc2cccnc2n1-c1cc(C(=O)NCCc2ccco2)ccc1Cl
InChIInChI=1S/C20H17ClN4O2/c1-13-24-17-5-2-9-22-19(17)25(13)18-12-14(6-7-16(18)21)20(26)23-10-8-15-4-3-11-27-15/h2-7,9,11-12H,8,10H2,1H3,(H,23,26)
InChIKeyBXYUATBFRLMIBF-UHFFFAOYSA-N
XLogP3.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277417
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide
CID 92864305
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 46277437
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332
4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277432
4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 92886823
4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 20916291
4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide
CID 46277393
[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 46277418
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide (CID 50758284) is 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide is Cc1nc2cccnc2n1-c1cc(C(=O)NCCc2ccco2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is BXYUATBFRLMIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13-24-17-5-2-9-22-19(17)25(13)18-12-14(6-7-16(18)21)20(26)23-10-8-15-4-3-11-27-15/h2-7,9,11-12H,8,10H2,1H3,(H,23,26).
What are the key properties of 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 380.84 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 50758284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).