4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine

C18H15N7O — CID 72933357

IUPAC4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
SMILESc1ccc(-c2noc(CCNc3nccc(-c4ccncc4)n3)n2)nc1
InChIInChI=1S/C18H15N7O/c1-2-8-20-15(3-1)17-24-16(26-25-17)7-12-22-18-21-11-6-14(23-18)13-4-9-19-10-5-13/h1-6,8-11H,7,12H2,(H,21,22,23)
InChIKeyQPXFOLPVVLVEMO-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.64
Rot. Bonds6

About 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine

4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 72933357) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID72933357
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
SMILESc1ccc(-c2noc(CCNc3nccc(-c4ccncc4)n3)n2)nc1
InChIInChI=1S/C18H15N7O/c1-2-8-20-15(3-1)17-24-16(26-25-17)7-12-22-18-21-11-6-14(23-18)13-4-9-19-10-5-13/h1-6,8-11H,7,12H2,(H,21,22,23)
InChIKeyQPXFOLPVVLVEMO-UHFFFAOYSA-N
XLogP2.64
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74248691
6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 72885432
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide
CID 91775954
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 70747193
4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 115528705
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 91766111
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 79273565
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine (CID 72933357) is 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine is c1ccc(-c2noc(CCNc3nccc(-c4ccncc4)n3)n2)nc1.
What is the InChIKey of 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is QPXFOLPVVLVEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-2-8-20-15(3-1)17-24-16(26-25-17)7-12-22-18-21-11-6-14(23-18)13-4-9-19-10-5-13/h1-6,8-11H,7,12H2,(H,21,22,23).
What are the key properties of 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 345.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72933357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).