4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid

C13H17FN4O2 — CID 19102745

IUPAC4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc(NC3CC3)ccc2F)CC1
InChIInChI=1S/C13H17FN4O2/c14-10-3-4-11(15-9-1-2-9)16-12(10)17-5-7-18(8-6-17)13(19)20/h3-4,9H,1-2,5-8H2,(H,15,16)(H,19,20)
InChIKeyMIOUDLYHRAHQTH-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.60
Rot. Bonds3

About 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid

4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 19102745) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID19102745
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc(NC3CC3)ccc2F)CC1
InChIInChI=1S/C13H17FN4O2/c14-10-3-4-11(15-9-1-2-9)16-12(10)17-5-7-18(8-6-17)13(19)20/h3-4,9H,1-2,5-8H2,(H,15,16)(H,19,20)
InChIKeyMIOUDLYHRAHQTH-UHFFFAOYSA-N
XLogP1.60
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318
4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid
CID 172785569
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122059980
4-[4-[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]piperazine-1-carboxylic acid
CID 175995322
2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
CID 58997284
4-(4-amino-2-fluoroanilino)piperidine-1-carboxylic acid
CID 69030718
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
tert-butyl 4-[7-chloro-2-(cyclopropylamino)quinolin-4-yl]piperazine-1-carboxylate
CID 21101946
4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid
CID 21073349

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid (CID 19102745) is 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2nc(NC3CC3)ccc2F)CC1.
What is the InChIKey of 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is MIOUDLYHRAHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c14-10-3-4-11(15-9-1-2-9)16-12(10)17-5-7-18(8-6-17)13(19)20/h3-4,9H,1-2,5-8H2,(H,15,16)(H,19,20).
What are the key properties of 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid?
4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 19102745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).