3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C19H13F3N8OS — CID 69047229

IUPAC3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESNc1cc(-c2ccncc2NC(=O)c2nc(-c3nccs3)ccc2N)nc(C(F)(F)F)n1
InChIInChI=1S/C19H13F3N8OS/c20-19(21,22)18-29-12(7-14(24)30-18)9-3-4-25-8-13(9)28-16(31)15-10(23)1-2-11(27-15)17-26-5-6-32-17/h1-8H,23H2,(H,28,31)(H2,24,29,30)
InChIKeyUJBYRAUXLUMCGW-UHFFFAOYSA-N
MW458.43 g/mol
LogP3.49
Rot. Bonds4

About 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide

3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 69047229) has the molecular formula C19H13F3N8OS and a molecular weight of 458.43 g/mol. Its IUPAC name is 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID69047229
Molecular FormulaC19H13F3N8OS
Molecular Weight458.43 g/mol
Exact Mass458.09
IUPAC Name3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESNc1cc(-c2ccncc2NC(=O)c2nc(-c3nccs3)ccc2N)nc(C(F)(F)F)n1
InChIInChI=1S/C19H13F3N8OS/c20-19(21,22)18-29-12(7-14(24)30-18)9-3-4-25-8-13(9)28-16(31)15-10(23)1-2-11(27-15)17-26-5-6-32-17/h1-8H,23H2,(H,28,31)(H2,24,29,30)
InChIKeyUJBYRAUXLUMCGW-UHFFFAOYSA-N
XLogP3.49
TPSA145.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329709
6-cyclopropyl-N-(2-pyridin-2-yl-1,3-thiazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330053
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 58548189
5-(2-{[4-(4-acetylpiperazin-1-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)-N-(2-aminoethyl)nicotinamide
CID 15979751
N-(2-aminoethyl)-5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979870
N-(2-aminoethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980473
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide
CID 118875852
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[2-(trifluoromethyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137660008
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384
Pyrimidine-4-carboxamide, 37
CID 11404621
N-(aminomethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57404487

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 69047229) is 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide is Nc1cc(-c2ccncc2NC(=O)c2nc(-c3nccs3)ccc2N)nc(C(F)(F)F)n1.
What is the InChIKey of 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is UJBYRAUXLUMCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N8OS/c20-19(21,22)18-29-12(7-14(24)30-18)9-3-4-25-8-13(9)28-16(31)15-10(23)1-2-11(27-15)17-26-5-6-32-17/h1-8H,23H2,(H,28,31)(H2,24,29,30).
What are the key properties of 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 458.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 69047229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).