4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide

C16H16FN5O2 — CID 67391269

IUPAC4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide
SMILESNc1ccc(N2CCN(C(=O)Nc3ccccc3F)C(=O)C2)nc1
InChIInChI=1S/C16H16FN5O2/c17-12-3-1-2-4-13(12)20-16(24)22-8-7-21(10-15(22)23)14-6-5-11(18)9-19-14/h1-6,9H,7-8,10,18H2,(H,20,24)
InChIKeyXZQQMSVPJVOTST-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.68
Rot. Bonds2

About 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide

4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide (PubChem CID 67391269) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide
PubChem CID67391269
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide
SMILESNc1ccc(N2CCN(C(=O)Nc3ccccc3F)C(=O)C2)nc1
InChIInChI=1S/C16H16FN5O2/c17-12-3-1-2-4-13(12)20-16(24)22-8-7-21(10-15(22)23)14-6-5-11(18)9-19-14/h1-6,9H,7-8,10,18H2,(H,20,24)
InChIKeyXZQQMSVPJVOTST-UHFFFAOYSA-N
XLogP1.68
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 67293554
6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161640
6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 62734933
N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
CID 69454094
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 61037785
N-(2-fluorophenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382953
3-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 37408899
1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 39453796
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43462000

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide (CID 67391269) is 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide is Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)C(=O)C2)nc1.
What is the InChIKey of 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide?
The InChIKey is XZQQMSVPJVOTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c17-12-3-1-2-4-13(12)20-16(24)22-8-7-21(10-15(22)23)14-6-5-11(18)9-19-14/h1-6,9H,7-8,10,18H2,(H,20,24).
What are the key properties of 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide?
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide is sourced from PubChem (CID 67391269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).