N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide

C24H26FN5O4 — CID 67509158

IUPACN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccc(F)cc2)c1)C1(C(N)=O)OCCO1
InChIInChI=1S/C24H26FN5O4/c1-2-3-6-20(24(23(26)32)33-12-13-34-24)29-22(31)18-5-4-11-27-21(18)30-14-19(28-15-30)16-7-9-17(25)10-8-16/h4-5,7-11,14-15,20H,2-3,6,12-13H2,1H3,(H2,26,32)(H,29,31)
InChIKeyFFZCEKJKHAFMQM-UHFFFAOYSA-N
MW467.50 g/mol
LogP2.59
Rot. Bonds9

About N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide (PubChem CID 67509158) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide
PubChem CID67509158
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC NameN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccc(F)cc2)c1)C1(C(N)=O)OCCO1
InChIInChI=1S/C24H26FN5O4/c1-2-3-6-20(24(23(26)32)33-12-13-34-24)29-22(31)18-5-4-11-27-21(18)30-14-19(28-15-30)16-7-9-17(25)10-8-16/h4-5,7-11,14-15,20H,2-3,6,12-13H2,1H3,(H2,26,32)(H,29,31)
InChIKeyFFZCEKJKHAFMQM-UHFFFAOYSA-N
XLogP2.59
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide (CID 67509158) is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide is CCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccc(F)cc2)c1)C1(C(N)=O)OCCO1.
What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide?
The InChIKey is FFZCEKJKHAFMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-2-3-6-20(24(23(26)32)33-12-13-34-24)29-22(31)18-5-4-11-27-21(18)30-14-19(28-15-30)16-7-9-17(25)10-8-16/h4-5,7-11,14-15,20H,2-3,6,12-13H2,1H3,(H2,26,32)(H,29,31).
What are the key properties of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide?
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-fluorophenyl)imidazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67509158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).