N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C20H25N5O — CID 133385920

IUPACN-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(N(C)Cc3cccc(N(C)C)c3)c2)n1
InChIInChI=1S/C20H25N5O/c1-14(2)19-22-20(26-23-19)16-9-10-21-18(12-16)25(5)13-15-7-6-8-17(11-15)24(3)4/h6-12,14H,13H2,1-5H3
InChIKeyXPKYPXFXGWNUSD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.96
Rot. Bonds6

About N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133385920) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133385920
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(N(C)Cc3cccc(N(C)C)c3)c2)n1
InChIInChI=1S/C20H25N5O/c1-14(2)19-22-20(26-23-19)16-9-10-21-18(12-16)25(5)13-15-7-6-8-17(11-15)24(3)4/h6-12,14H,13H2,1-5H3
InChIKeyXPKYPXFXGWNUSD-UHFFFAOYSA-N
XLogP3.96
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133385920) is N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CC(C)c1noc(-c2ccnc(N(C)Cc3cccc(N(C)C)c3)c2)n1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is XPKYPXFXGWNUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14(2)19-22-20(26-23-19)16-9-10-21-18(12-16)25(5)13-15-7-6-8-17(11-15)24(3)4/h6-12,14H,13H2,1-5H3.
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 351.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133385920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).