N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide

C18H15ClN2O2 — CID 31121475

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C18H15ClN2O2/c1-12-2-3-14(10-20-12)18(22)21-11-16-8-9-17(23-16)13-4-6-15(19)7-5-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyAUNOJWCEKWSPBM-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.23
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 31121475) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID31121475
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C18H15ClN2O2/c1-12-2-3-14(10-20-12)18(22)21-11-16-8-9-17(23-16)13-4-6-15(19)7-5-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyAUNOJWCEKWSPBM-UHFFFAOYSA-N
XLogP4.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide (CID 31121475) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is AUNOJWCEKWSPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-2-3-14(10-20-12)18(22)21-11-16-8-9-17(23-16)13-4-6-15(19)7-5-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 31121475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).