N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

C18H17F2N7O2 — CID 170731224

IUPACN-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2nnc(C3CC3)o2)cn1
InChIInChI=1S/C18H17F2N7O2/c1-9(28)23-14-7-12(24-13-5-6-21-17(25-13)18(2,19)20)11(8-22-14)16-27-26-15(29-16)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H2,21,22,23,24,25,28)
InChIKeyBZDLZLDUIUHFFP-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.61
Rot. Bonds6

About N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 170731224) has the molecular formula C18H17F2N7O2 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID170731224
Molecular FormulaC18H17F2N7O2
Molecular Weight401.38 g/mol
Exact Mass401.14
IUPAC NameN-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2nnc(C3CC3)o2)cn1
InChIInChI=1S/C18H17F2N7O2/c1-9(28)23-14-7-12(24-13-5-6-21-17(25-13)18(2,19)20)11(8-22-14)16-27-26-15(29-16)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H2,21,22,23,24,25,28)
InChIKeyBZDLZLDUIUHFFP-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 ≤ 500401.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
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)-N4-propyl-N2-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
CID 11530692
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N2-(2-(pyridin-4-yl)ethyl)-N4-p-tolylpyrimidine-2,4-diamine
CID 44589504
4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one
CID 44589598
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 44589599
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
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-methyl-N2-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
CID 44590190
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-phenyl-N2-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
CID 44590193
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N2-(2-(pyridin-4-yl)ethyl)-N4-o-tolylpyrimidine-2,4-diamine
CID 44590194
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (CID 170731224) is N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2nnc(C3CC3)o2)cn1.
What is the InChIKey of N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is BZDLZLDUIUHFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O2/c1-9(28)23-14-7-12(24-13-5-6-21-17(25-13)18(2,19)20)11(8-22-14)16-27-26-15(29-16)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H2,21,22,23,24,25,28).
What are the key properties of N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
N-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 401.38 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-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 170731224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).