N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide

C15H23FN4OS — CID 138547115

IUPACN-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide
SMILESCCCSN1CCNCC1CCc1c(F)cncc1NC=O
InChIInChI=1S/C15H23FN4OS/c1-2-7-22-20-6-5-17-8-12(20)3-4-13-14(16)9-18-10-15(13)19-11-21/h9-12,17H,2-8H2,1H3,(H,19,21)
InChIKeyYBINUJRKYPHZCI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.05
Rot. Bonds8

About N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide

N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide (PubChem CID 138547115) has the molecular formula C15H23FN4OS and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide
PubChem CID138547115
Molecular FormulaC15H23FN4OS
Molecular Weight326.44 g/mol
Exact Mass326.16
IUPAC NameN-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide
SMILESCCCSN1CCNCC1CCc1c(F)cncc1NC=O
InChIInChI=1S/C15H23FN4OS/c1-2-7-22-20-6-5-17-8-12(20)3-4-13-14(16)9-18-10-15(13)19-11-21/h9-12,17H,2-8H2,1H3,(H,19,21)
InChIKeyYBINUJRKYPHZCI-UHFFFAOYSA-N
XLogP2.05
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[5-fluoro-4-[2-[(2S)-1-propylsulfanylpiperazin-2-yl]ethyl]-3-pyridinyl]-3-(oxan-4-yl)propanamide
CID 138547249
3-(4-chlorophenyl)-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]propanamide
CID 138547285
3-(4-chlorophenyl)-3-(2,2-dimethyloxan-4-yl)-N-[5-fluoro-4-[2-[(2S)-1-propylsulfanylpiperazin-2-yl]ethyl]-3-pyridinyl]propanamide
CID 138547319
tert-butyl 3-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-4-propylsulfanylpiperazine-1-carboxylate
CID 144917370
3-(4-fluorophenyl)-N-[3-fluoro-2-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]phenyl]-3-(oxan-3-yl)propanamide
CID 138547206
[(2R)-1-propylsulfanylpiperazin-2-yl]methanol
CID 138547200
5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine
CID 144781407
acetylene;[(2R)-1-propylsulfanylpiperazin-2-yl]methanol
CID 144917327
3-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-[5-fluoro-4-[2-(1-propylsulfonylpiperazin-2-yl)ethyl]-3-pyridinyl]propanamide
CID 138546979
(2S,3S)-2-amino-3-(3,5-difluorophenyl)-3-(4-fluorophenyl)-N-[5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperazin-2-yl]ethyl]-3-pyridinyl]propanamide
CID 121377922
methyl N-[(1S,2S)-1-(3,5-difluorophenyl)-3-[[5-fluoro-4-[2-[(2R)-1-methylsulfonylpiperazin-2-yl]ethyl]-3-pyridinyl]amino]-1-(4-fluorophenyl)-3-oxopropan-2-yl]carbamate
CID 121388535
(3S)-N-[4-[2-[(2S)-1-(cyclopropylmethylsulfonyl)piperazin-2-yl]ethyl]-5-fluoro-3-pyridinyl]-3-(3-fluoro-5-methylphenyl)-3-(4-fluorophenyl)propanamide
CID 154927213

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide?
The IUPAC name of N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide (CID 138547115) is N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide.
What is the SMILES notation for N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide?
The canonical SMILES for N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide is CCCSN1CCNCC1CCc1c(F)cncc1NC=O.
What is the InChIKey of N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide?
The InChIKey is YBINUJRKYPHZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4OS/c1-2-7-22-20-6-5-17-8-12(20)3-4-13-14(16)9-18-10-15(13)19-11-21/h9-12,17H,2-8H2,1H3,(H,19,21).
What are the key properties of N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide?
N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide has a molecular weight of 326.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide is sourced from PubChem (CID 138547115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).