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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Related Compounds

N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 154736412
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126795682
N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126777633
4-(3-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 65363741
N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 166218398
3-amino-N-(5-carbamoyl-2-fluorophenyl)pyridine-2-carboxamide
CID 104741270
4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 62925510
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203970
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109213927

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).