N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine

C15H25FN4 — CID 99857768

IUPACN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine
SMILESCCN1CCN(C[C@@H](C)CNc2ncccc2F)CC1
InChIInChI=1S/C15H25FN4/c1-3-19-7-9-20(10-8-19)12-13(2)11-18-15-14(16)5-4-6-17-15/h4-6,13H,3,7-12H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyUWDCFJHZBQYYHU-ZDUSSCGKSA-N
MW280.39 g/mol
LogP1.91
Rot. Bonds6

About N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine

N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine (PubChem CID 99857768) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine
PubChem CID99857768
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC NameN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine
SMILESCCN1CCN(C[C@@H](C)CNc2ncccc2F)CC1
InChIInChI=1S/C15H25FN4/c1-3-19-7-9-20(10-8-19)12-13(2)11-18-15-14(16)5-4-6-17-15/h4-6,13H,3,7-12H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyUWDCFJHZBQYYHU-ZDUSSCGKSA-N
XLogP1.91
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine
CID 91651034
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyridin-2-amine
CID 86805423
3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 55111712
3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile
CID 131201275
4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86805430
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111265504
3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 136534742
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538482
3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 62734731
1-ethyl-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111266450
N-(2-methyl-3-pyrrolidin-1-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 62992310

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine?
The IUPAC name of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine (CID 99857768) is N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine?
The canonical SMILES for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine is CCN1CCN(C[C@@H](C)CNc2ncccc2F)CC1.
What is the InChIKey of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine?
The InChIKey is UWDCFJHZBQYYHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25FN4/c1-3-19-7-9-20(10-8-19)12-13(2)11-18-15-14(16)5-4-6-17-15/h4-6,13H,3,7-12H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine?
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine has a molecular weight of 280.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 99857768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).