5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

C19H20FN5 — CID 176561558

IUPAC5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESCC1CCN(c2c(F)cncc2NCc2ccc3nccnc3c2)C1
InChIInChI=1S/C19H20FN5/c1-13-4-7-25(12-13)19-15(20)10-21-11-18(19)24-9-14-2-3-16-17(8-14)23-6-5-22-16/h2-3,5-6,8,10-11,13,24H,4,7,9,12H2,1H3
InChIKeyXMWCEEXNCGQFPA-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.62
Rot. Bonds4

About 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (PubChem CID 176561558) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
PubChem CID176561558
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESCC1CCN(c2c(F)cncc2NCc2ccc3nccnc3c2)C1
InChIInChI=1S/C19H20FN5/c1-13-4-7-25(12-13)19-15(20)10-21-11-18(19)24-9-14-2-3-16-17(8-14)23-6-5-22-16/h2-3,5-6,8,10-11,13,24H,4,7,9,12H2,1H3
InChIKeyXMWCEEXNCGQFPA-UHFFFAOYSA-N
XLogP3.62
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561606
4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561546
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 177366099
5-(difluoromethyl)-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-[(3S)-3-methylpiperazin-1-yl]pyridin-3-amine
CID 168937044
N-[(7-fluoroquinoxalin-6-yl)methyl]-4-[(3S)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)pyridin-3-amine
CID 168937151
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
CID 53299083
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
CID 168937210
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937135
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133298860

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (CID 176561558) is 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is CC1CCN(c2c(F)cncc2NCc2ccc3nccnc3c2)C1.
What is the InChIKey of 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The InChIKey is XMWCEEXNCGQFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-13-4-7-25(12-13)19-15(20)10-21-11-18(19)24-9-14-2-3-16-17(8-14)23-6-5-22-16/h2-3,5-6,8,10-11,13,24H,4,7,9,12H2,1H3.
What are the key properties of 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine has a molecular weight of 337.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 176561558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).