N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide

C17H13ClN2O2 — CID 20897090

IUPACN-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1cccnc1)c1ccco1
InChIInChI=1S/C17H13ClN2O2/c18-14-7-5-12(6-8-14)16(13-3-1-9-19-11-13)20-17(21)15-4-2-10-22-15/h1-11,16H,(H,20,21)
InChIKeyRQMOKZYQNUXZQE-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.85
Rot. Bonds4

About N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide

N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide (PubChem CID 20897090) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
PubChem CID20897090
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1cccnc1)c1ccco1
InChIInChI=1S/C17H13ClN2O2/c18-14-7-5-12(6-8-14)16(13-3-1-9-19-11-13)20-17(21)15-4-2-10-22-15/h1-11,16H,(H,20,21)
InChIKeyRQMOKZYQNUXZQE-UHFFFAOYSA-N
XLogP3.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid
CID 82090064
4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
CID 56661987
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589039
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589038
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]furan-2-carboxamide
CID 40919026
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium
CID 5043626
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 35345756
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
CID 125167685

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide (CID 20897090) is N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1cccnc1)c1ccco1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide?
The InChIKey is RQMOKZYQNUXZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-7-5-12(6-8-14)16(13-3-1-9-19-11-13)20-17(21)15-4-2-10-22-15/h1-11,16H,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide?
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20897090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).