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

C18H19F2N7O2 — CID 175990628

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2-c2nnc(C)o2)nc(C(C)(F)F)n1
InChIInChI=1S/C18H19F2N7O2/c1-5-11-6-15(25-17(23-11)18(4,19)20)24-13-7-14(22-9(2)28)21-8-12(13)16-27-26-10(3)29-16/h6-8H,5H2,1-4H3,(H2,21,22,23,24,25,28)
InChIKeyDNULULRTNVHAMY-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.61
Rot. Bonds6

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

N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide (PubChem CID 175990628) has the molecular formula C18H19F2N7O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
PubChem CID175990628
Molecular FormulaC18H19F2N7O2
Molecular Weight403.39 g/mol
Exact Mass403.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2-c2nnc(C)o2)nc(C(C)(F)F)n1
InChIInChI=1S/C18H19F2N7O2/c1-5-11-6-15(25-17(23-11)18(4,19)20)24-13-7-14(22-9(2)28)21-8-12(13)16-27-26-10(3)29-16/h6-8H,5H2,1-4H3,(H2,21,22,23,24,25,28)
InChIKeyDNULULRTNVHAMY-UHFFFAOYSA-N
XLogP3.61
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CID 121487936
3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
CID 118288357
2-methoxy-5-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384518
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 974453
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 44589647
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722416
N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide
CID 162722574
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-amine
CID 162722708
2-(Difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290178
2-(Difluoromethyl)-5-[6-[(5-fluoropyrimidin-2-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290293
6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415349

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide (CID 175990628) is N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide is CCc1cc(Nc2cc(NC(C)=O)ncc2-c2nnc(C)o2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide?
The InChIKey is DNULULRTNVHAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O2/c1-5-11-6-15(25-17(23-11)18(4,19)20)24-13-7-14(22-9(2)28)21-8-12(13)16-27-26-10(3)29-16/h6-8H,5H2,1-4H3,(H2,21,22,23,24,25,28).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide has a molecular weight of 403.39 g/mol, XLogP of 3.61, 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)-6-ethylpyrimidin-4-yl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 175990628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).