N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide

C24H18ClN3O3 — CID 46410027

IUPACN-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H18ClN3O3/c25-19-8-6-16(7-9-19)22-11-10-21(31-22)15-27-23(29)17-3-1-5-20(13-17)28-24(30)18-4-2-12-26-14-18/h1-14H,15H2,(H,27,29)(H,28,30)
InChIKeyCSDCYYBWXCSNCL-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.18
Rot. Bonds6

About N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 46410027) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID46410027
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC NameN-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H18ClN3O3/c25-19-8-6-16(7-9-19)22-11-10-21(31-22)15-27-23(29)17-3-1-5-20(13-17)28-24(30)18-4-2-12-26-14-18/h1-14H,15H2,(H,27,29)(H,28,30)
InChIKeyCSDCYYBWXCSNCL-UHFFFAOYSA-N
XLogP5.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide (CID 46410027) is N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide is O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is CSDCYYBWXCSNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c25-19-8-6-16(7-9-19)22-11-10-21(31-22)15-27-23(29)17-3-1-5-20(13-17)28-24(30)18-4-2-12-26-14-18/h1-14H,15H2,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46410027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).