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

C16H18FN5O — CID 66765224

IUPAC4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESNc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1
InChIInChI=1S/C16H18FN5O/c17-13-3-1-2-4-14(13)20-16(23)22-9-7-21(8-10-22)15-6-5-12(18)11-19-15/h1-6,11H,7-10,18H2,(H,20,23)
InChIKeyAKCZLBVBVDZQGI-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.16
Rot. Bonds2

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

4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 66765224) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID66765224
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESNc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1
InChIInChI=1S/C16H18FN5O/c17-13-3-1-2-4-14(13)20-16(23)22-9-7-21(8-10-22)15-6-5-12(18)11-19-15/h1-6,11H,7-10,18H2,(H,20,23)
InChIKeyAKCZLBVBVDZQGI-UHFFFAOYSA-N
XLogP2.16
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide
CID 67391269
N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
CID 69454094
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
N-(2-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920931
4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 75506359
4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91968748
N-(2-fluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56920257
N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55351597
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 66765224) is 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide is Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1.
What is the InChIKey of 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is AKCZLBVBVDZQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-13-3-1-2-4-14(13)20-16(23)22-9-7-21(8-10-22)15-6-5-12(18)11-19-15/h1-6,11H,7-10,18H2,(H,20,23).
What are the key properties of 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 66765224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).