3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane

C20H28FN5O — CID 176552824

IUPAC3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane
SMILESCC.Cc1cnc(C(=O)NC2CCN(c3c(C)cccc3F)CC2)c(N)n1
InChIInChI=1S/C18H22FN5O.C2H6/c1-11-4-3-5-14(19)16(11)24-8-6-13(7-9-24)23-18(25)15-17(20)22-12(2)10-21-15;1-2/h3-5,10,13H,6-9H2,1-2H3,(H2,20,22)(H,23,25);1-2H3
InChIKeyBJFXJFFWEGMJNB-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.24
Rot. Bonds3

About 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane

3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane (PubChem CID 176552824) has the molecular formula C20H28FN5O and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane
PubChem CID176552824
Molecular FormulaC20H28FN5O
Molecular Weight373.48 g/mol
Exact Mass373.23
IUPAC Name3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane
SMILESCC.Cc1cnc(C(=O)NC2CCN(c3c(C)cccc3F)CC2)c(N)n1
InChIInChI=1S/C18H22FN5O.C2H6/c1-11-4-3-5-14(19)16(11)24-8-6-13(7-9-24)23-18(25)15-17(20)22-12(2)10-21-15;1-2/h3-5,10,13H,6-9H2,1-2H3,(H2,20,22)(H,23,25);1-2H3
InChIKeyBJFXJFFWEGMJNB-UHFFFAOYSA-N
XLogP3.24
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Darovasertib
CID 118873253
Asp-5854
CID 24810000
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[3,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548325
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
6-cyclopropyl-N-[2-fluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548155
6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548166
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-4-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548188
6-cyclopropyl-N-[3-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548224
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548226

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane?
The IUPAC name of 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane (CID 176552824) is 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane.
What is the SMILES notation for 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane?
The canonical SMILES for 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane is CC.Cc1cnc(C(=O)NC2CCN(c3c(C)cccc3F)CC2)c(N)n1.
What is the InChIKey of 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane?
The InChIKey is BJFXJFFWEGMJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O.C2H6/c1-11-4-3-5-14(19)16(11)24-8-6-13(7-9-24)23-18(25)15-17(20)22-12(2)10-21-15;1-2/h3-5,10,13H,6-9H2,1-2H3,(H2,20,22)(H,23,25);1-2H3.
What are the key properties of 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane?
3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane has a molecular weight of 373.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide;ethane is sourced from PubChem (CID 176552824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).