N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C24H24BrN3O3 — CID 1282817

IUPACN-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(Cc1ccco1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C24H24BrN3O3/c25-18-9-11-19(12-10-18)27-23(30)24(13-3-1-4-14-24)28(17-20-7-6-16-31-20)22(29)21-8-2-5-15-26-21/h2,5-12,15-16H,1,3-4,13-14,17H2,(H,27,30)
InChIKeyDUDMBDIWEXXQRP-UHFFFAOYSA-N
MW482.38 g/mol
LogP5.42
Rot. Bonds6

About N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 1282817) has the molecular formula C24H24BrN3O3 and a molecular weight of 482.38 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID1282817
Molecular FormulaC24H24BrN3O3
Molecular Weight482.38 g/mol
Exact Mass481.10
IUPAC NameN-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(Cc1ccco1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C24H24BrN3O3/c25-18-9-11-19(12-10-18)27-23(30)24(13-3-1-4-14-24)28(17-20-7-6-16-31-20)22(29)21-8-2-5-15-26-21/h2,5-12,15-16H,1,3-4,13-14,17H2,(H,27,30)
InChIKeyDUDMBDIWEXXQRP-UHFFFAOYSA-N
XLogP5.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.38
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 1282817) is N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(c1ccccn1)N(Cc1ccco1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is DUDMBDIWEXXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O3/c25-18-9-11-19(12-10-18)27-23(30)24(13-3-1-4-14-24)28(17-20-7-6-16-31-20)22(29)21-8-2-5-15-26-21/h2,5-12,15-16H,1,3-4,13-14,17H2,(H,27,30).
What are the key properties of N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 1282817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).