N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

C17H16FN5O3 — CID 154743352

IUPACN-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(F)c(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)c1
InChIInChI=1S/C17H16FN5O3/c18-12-2-1-10(16(19)25)7-13(12)22-17(26)14-8-11(3-4-20-14)23-6-5-21-15(24)9-23/h1-4,7-8H,5-6,9H2,(H2,19,25)(H,21,24)(H,22,26)
InChIKeyFLHDRUYHDZMHPL-UHFFFAOYSA-N
MW357.35 g/mol
LogP0.51
Rot. Bonds4

About N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 154743352) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
PubChem CID154743352
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC NameN-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(F)c(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)c1
InChIInChI=1S/C17H16FN5O3/c18-12-2-1-10(16(19)25)7-13(12)22-17(26)14-8-11(3-4-20-14)23-6-5-21-15(24)9-23/h1-4,7-8H,5-6,9H2,(H2,19,25)(H,21,24)(H,22,26)
InChIKeyFLHDRUYHDZMHPL-UHFFFAOYSA-N
XLogP0.51
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (CID 154743352) is N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is NC(=O)c1ccc(F)c(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)c1.
What is the InChIKey of N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is FLHDRUYHDZMHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c18-12-2-1-10(16(19)25)7-13(12)22-17(26)14-8-11(3-4-20-14)23-6-5-21-15(24)9-23/h1-4,7-8H,5-6,9H2,(H2,19,25)(H,21,24)(H,22,26).
What are the key properties of N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 154743352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).