4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide

C12H11ClN2O2 — CID 55081452

IUPAC4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)ccn2)o1
InChIInChI=1S/C12H11ClN2O2/c1-8-2-3-10(17-8)7-15-12(16)11-6-9(13)4-5-14-11/h2-6H,7H2,1H3,(H,15,16)
InChIKeyFIQYQHVXCYXOIE-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.57
Rot. Bonds3

About 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide

4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 55081452) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
PubChem CID55081452
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)ccn2)o1
InChIInChI=1S/C12H11ClN2O2/c1-8-2-3-10(17-8)7-15-12(16)11-6-9(13)4-5-14-11/h2-6H,7H2,1H3,(H,15,16)
InChIKeyFIQYQHVXCYXOIE-UHFFFAOYSA-N
XLogP2.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62524791
N-ethyl-4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxamide
CID 55081264
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976
5-carbamothioyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63749387
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide (CID 55081452) is 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc(Cl)ccn2)o1.
What is the InChIKey of 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FIQYQHVXCYXOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-2-3-10(17-8)7-15-12(16)11-6-9(13)4-5-14-11/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55081452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).