[1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine

C17H19N7O — CID 91893684

IUPAC[1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncncc2-c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C17H19N7O/c18-9-12-3-7-24(8-4-12)16-14(10-20-11-21-16)17-22-15(23-25-17)13-1-5-19-6-2-13/h1-2,5-6,10-12H,3-4,7-9,18H2
InChIKeyCTGDSLUEVVFSMV-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.76
Rot. Bonds4

About [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine

[1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine (PubChem CID 91893684) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
PubChem CID91893684
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name[1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncncc2-c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C17H19N7O/c18-9-12-3-7-24(8-4-12)16-14(10-20-11-21-16)17-22-15(23-25-17)13-1-5-19-6-2-13/h1-2,5-6,10-12H,3-4,7-9,18H2
InChIKeyCTGDSLUEVVFSMV-UHFFFAOYSA-N
XLogP1.76
TPSA106.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 91909236
5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 91893698
1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769912
3-(4-methylphenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99962981
3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 50769405
3-methyl-5-[4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazole
CID 91893650
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770168
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53365332
3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99963017
3-(4-methylphenyl)-5-(2-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 46265181
2-[4-(aminomethyl)piperidin-1-yl]pyridin-3-ol
CID 71644858
[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 71825179

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine (CID 91893684) is [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine is NCC1CCN(c2ncncc2-c2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is CTGDSLUEVVFSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c18-9-12-3-7-24(8-4-12)16-14(10-20-11-21-16)17-22-15(23-25-17)13-1-5-19-6-2-13/h1-2,5-6,10-12H,3-4,7-9,18H2.
What are the key properties of [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
[1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 337.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 91893684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).