N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide

C17H18F2N8O — CID 170730316

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-n2cnc(C)n2)cn1
InChIInChI=1S/C17H18F2N8O/c1-9-5-15(25-16(22-9)17(4,18)19)24-12-6-14(23-11(3)28)20-7-13(12)27-8-21-10(2)26-27/h5-8H,1-4H3,(H2,20,22,23,24,25,28)
InChIKeyFMXQSRPBOXURHQ-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.88
Rot. Bonds5

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide (PubChem CID 170730316) has the molecular formula C17H18F2N8O and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide
PubChem CID170730316
Molecular FormulaC17H18F2N8O
Molecular Weight388.38 g/mol
Exact Mass388.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-n2cnc(C)n2)cn1
InChIInChI=1S/C17H18F2N8O/c1-9-5-15(25-16(22-9)17(4,18)19)24-12-6-14(23-11(3)28)20-7-13(12)27-8-21-10(2)26-27/h5-8H,1-4H3,(H2,20,22,23,24,25,28)
InChIKeyFMXQSRPBOXURHQ-UHFFFAOYSA-N
XLogP2.88
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 122552662
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-tetrazol-1-yl-pyridin-2-ylmethyl)-acetamide
CID 10207343
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-[1,2,4]triazol-1-yl-pyridin-2-ylmethyl)-acetamide
CID 10300692
9-(4,4-Difluorocyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 155521367
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide
CID 10435712
5-cyclopropyl-7-(difluoromethyl)-N-3-pyridinylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1257401
2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide
CID 10481123
1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]propan-1-one
CID 53317730

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide (CID 170730316) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-n2cnc(C)n2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide?
The InChIKey is FMXQSRPBOXURHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N8O/c1-9-5-15(25-16(22-9)17(4,18)19)24-12-6-14(23-11(3)28)20-7-13(12)27-8-21-10(2)26-27/h5-8H,1-4H3,(H2,20,22,23,24,25,28).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide has a molecular weight of 388.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).