3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C23H25F3N8O2 — CID 118873335

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCOc1cnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N8O2/c1-22(28)5-8-34(9-6-22)16-4-3-7-29-20(16)33-21(35)18-19(27)31-12-15(32-18)17-14(23(24,25)26)10-13(36-2)11-30-17/h3-4,7,10-12H,5-6,8-9,28H2,1-2H3,(H2,27,31)(H,29,33,35)
InChIKeyRULYSYJNGRSJSA-UHFFFAOYSA-N
MW502.50 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873335) has the molecular formula C23H25F3N8O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873335
Molecular FormulaC23H25F3N8O2
Molecular Weight502.50 g/mol
Exact Mass502.21
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCOc1cnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N8O2/c1-22(28)5-8-34(9-6-22)16-4-3-7-29-20(16)33-21(35)18-19(27)31-12-15(32-18)17-14(23(24,25)26)10-13(36-2)11-30-17/h3-4,7,10-12H,5-6,8-9,28H2,1-2H3,(H2,27,31)(H,29,33,35)
InChIKeyRULYSYJNGRSJSA-UHFFFAOYSA-N
XLogP3.11
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
3-amino-N-[4-(2-amino-6-methoxy-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68184638
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873207
3-amino-N-[3-(4-amino-3-methoxypiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873273
3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873314
6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415257
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139085
2-Methyl-1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 59374138
3-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 68187574
2-(1,1-difluoroethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117609729
2-(difluoromethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610117

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873335) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is COc1cnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is RULYSYJNGRSJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N8O2/c1-22(28)5-8-34(9-6-22)16-4-3-7-29-20(16)33-21(35)18-19(27)31-12-15(32-18)17-14(23(24,25)26)10-13(36-2)11-30-17/h3-4,7,10-12H,5-6,8-9,28H2,1-2H3,(H2,27,31)(H,29,33,35).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).