4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide

C13H13ClN2O2 — CID 81225644

IUPAC4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)c2ccco2)cn1
InChIInChI=1S/C13H13ClN2O2/c1-8-6-11(14)10(7-15-8)13(17)16-9(2)12-4-3-5-18-12/h3-7,9H,1-2H3,(H,16,17)
InChIKeyZWALEBWKXSBRJD-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.13
Rot. Bonds3

About 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide

4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 81225644) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID81225644
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)c2ccco2)cn1
InChIInChI=1S/C13H13ClN2O2/c1-8-6-11(14)10(7-15-8)13(17)16-9(2)12-4-3-5-18-12/h3-7,9H,1-2H3,(H,16,17)
InChIKeyZWALEBWKXSBRJD-UHFFFAOYSA-N
XLogP3.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 43535392
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
5-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107238943
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 115283582
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide (CID 81225644) is 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC(C)c2ccco2)cn1.
What is the InChIKey of 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ZWALEBWKXSBRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-6-11(14)10(7-15-8)13(17)16-9(2)12-4-3-5-18-12/h3-7,9H,1-2H3,(H,16,17).
What are the key properties of 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81225644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).