N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide

C24H25FN2O4 — CID 172669132

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C24H25FN2O4/c1-15-12-13-27(18-6-8-19(28)9-7-18)24(30)22(15)23(29)26-14-20-10-11-21(31-20)16-2-4-17(25)5-3-16/h2-5,10-13,18-19,28H,6-9,14H2,1H3,(H,26,29)
InChIKeyFDOAUZFDCCDHMG-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.96
Rot. Bonds5

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172669132) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172669132
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C24H25FN2O4/c1-15-12-13-27(18-6-8-19(28)9-7-18)24(30)22(15)23(29)26-14-20-10-11-21(31-20)16-2-4-17(25)5-3-16/h2-5,10-13,18-19,28H,6-9,14H2,1H3,(H,26,29)
InChIKeyFDOAUZFDCCDHMG-UHFFFAOYSA-N
XLogP3.96
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide (CID 172669132) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide is Cc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FDOAUZFDCCDHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-15-12-13-27(18-6-8-19(28)9-7-18)24(30)22(15)23(29)26-14-20-10-11-21(31-20)16-2-4-17(25)5-3-16/h2-5,10-13,18-19,28H,6-9,14H2,1H3,(H,26,29).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172669132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).