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

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Related Compounds

N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
(2Z)-3-(Furan-2-YL)-2-(phenylformamido)-N-[2-(pyridin-2-YL)ethyl]prop-2-enamide
CID 5765256
[5-(4-Bromo-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6462633
N-(4-{[(2-pyridinylmethyl)amino]carbonyl}phenyl)-2-furamide
CID 839474
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide
CID 2092582
(4,5-Dibromofuran-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 42606460
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-phenyl-carbamoyl]-methyl}-amide
CID 654585
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 1297443
2-Fluoro-N-{(E)-1-[(furan-2-ylmethyl)-carbamoyl]-2-pyridin-3-yl-vinyl}-benzamide
CID 1833672
Pyridine-2-carboxylic acid [cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl]-furan-2-ylmethyl-amide
CID 3205967
Pyridine-2-carboxylic acid [cyclohexylcarbamoyl-(3-methoxy-phenyl)-methyl]-furan-2-ylmethyl-amide
CID 3206032
N-Cyclohexyl-2-(4-fluorophenyl)-2-[N-(furan-2-ylmethyl)-1-pyridin-2-ylformamido]acetamide
CID 3206071

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).