N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide

C17H18F2N8O — CID 170730438

IUPACN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide
SMILESCCn1ncc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(F)F)n2)n1
InChIInChI=1S/C17H18F2N8O/c1-4-27-22-9-13(26-27)11-8-21-15(23-10(2)28)7-12(11)24-14-5-6-20-16(25-14)17(3,18)19/h5-9H,4H2,1-3H3,(H2,20,21,23,24,25,28)
InChIKeyRTUUNXVWLDHWHQ-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.96
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 170730438) has the molecular formula C17H18F2N8O and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide
PubChem CID170730438
Molecular FormulaC17H18F2N8O
Molecular Weight388.38 g/mol
Exact Mass388.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide
SMILESCCn1ncc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(F)F)n2)n1
InChIInChI=1S/C17H18F2N8O/c1-4-27-22-9-13(26-27)11-8-21-15(23-10(2)28)7-12(11)24-14-5-6-20-16(25-14)17(3,18)19/h5-9H,4H2,1-3H3,(H2,20,21,23,24,25,28)
InChIKeyRTUUNXVWLDHWHQ-UHFFFAOYSA-N
XLogP2.96
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[2-(2-morpholin-4-ylethyl)triazol-4-yl]-2-pyridinyl]acetamide
CID 175990844
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(methoxymethyl)triazol-4-yl]-2-pyridinyl]acetamide
CID 170730784
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(difluoromethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
CID 175990883
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 170730270
N-[5-[5-(cyanomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 170731024
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
CID 170730382
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(3-methoxy-3-methylazetidin-1-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
CID 170731127
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(3-methoxypyrrolidin-1-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
CID 170730554
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(oxetan-3-yloxy)pyrazin-2-yl]-2-pyridinyl]acetamide
CID 175990787
N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
CID 170730874

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide (CID 170730438) is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide is CCn1ncc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(F)F)n2)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is RTUUNXVWLDHWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N8O/c1-4-27-22-9-13(26-27)11-8-21-15(23-10(2)28)7-12(11)24-14-5-6-20-16(25-14)17(3,18)19/h5-9H,4H2,1-3H3,(H2,20,21,23,24,25,28).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 388.38 g/mol, XLogP of 2.96, 6 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)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).