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

C24H28F3N9O — CID 118873352

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1
InChIInChI=1S/C24H28F3N9O/c1-23(29)8-11-36(12-9-23)16-5-4-10-30-21(16)34-22(37)19-20(28)31-13-15(32-19)18-14(24(25,26)27)6-7-17(33-18)35(2)3/h4-7,10,13H,8-9,11-12,29H2,1-3H3,(H2,28,31)(H,30,34,37)
InChIKeyNSDQNZWGKOYDRS-UHFFFAOYSA-N
MW515.54 g/mol
LogP3.17
Rot. Bonds5

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

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873352) has the molecular formula C24H28F3N9O and a molecular weight of 515.54 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873352
Molecular FormulaC24H28F3N9O
Molecular Weight515.54 g/mol
Exact Mass515.24
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1
InChIInChI=1S/C24H28F3N9O/c1-23(29)8-11-36(12-9-23)16-5-4-10-30-21(16)34-22(37)19-20(28)31-13-15(32-19)18-14(24(25,26)27)6-7-17(33-18)35(2)3/h4-7,10,13H,8-9,11-12,29H2,1-3H3,(H2,28,31)(H,30,34,37)
InChIKeyNSDQNZWGKOYDRS-UHFFFAOYSA-N
XLogP3.17
TPSA139.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

Darovasertib
CID 118873253
Wnt-974
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Las-101057
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Gnf6231
CID 46927297
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyridin-3-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548209
6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548252
4-[6-[(4,4-Dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587341
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873352) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-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-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is CN(C)c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is NSDQNZWGKOYDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N9O/c1-23(29)8-11-36(12-9-23)16-5-4-10-30-21(16)34-22(37)19-20(28)31-13-15(32-19)18-14(24(25,26)27)6-7-17(33-18)35(2)3/h4-7,10,13H,8-9,11-12,29H2,1-3H3,(H2,28,31)(H,30,34,37).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 3.17, 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-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).