5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide

C13H13ClN2O2 — CID 86858321

IUPAC5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
SMILESCC(c1cccnc1)N(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H13ClN2O2/c1-9(10-4-3-7-15-8-10)16(2)13(17)11-5-6-12(14)18-11/h3-9H,1-2H3
InChIKeyRTMQRZWRGHBMSC-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.16
Rot. Bonds3

About 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide

5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide (PubChem CID 86858321) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
PubChem CID86858321
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
SMILESCC(c1cccnc1)N(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H13ClN2O2/c1-9(10-4-3-7-15-8-10)16(2)13(17)11-5-6-12(14)18-11/h3-9H,1-2H3
InChIKeyRTMQRZWRGHBMSC-UHFFFAOYSA-N
XLogP3.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-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

N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
5-chloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913499
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 113219634
5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95553441
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059
2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
CID 72877931
5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide
CID 95763382
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 95195499
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
5-amino-N-methyl-1-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 154847565
3-[(5-chlorofuran-2-carbonyl)-methylamino]butanoic acid
CID 110836895

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide (CID 86858321) is 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide is CC(c1cccnc1)N(C)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide?
The InChIKey is RTMQRZWRGHBMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9(10-4-3-7-15-8-10)16(2)13(17)11-5-6-12(14)18-11/h3-9H,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide?
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 86858321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).