N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C18H18N4O — CID 133334134

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(N(C)C3CCc4ccccc43)c2)n1
InChIInChI=1S/C18H18N4O/c1-12-20-18(23-21-12)14-9-10-19-17(11-14)22(2)16-8-7-13-5-3-4-6-15(13)16/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeyABIBHMVSDWDBQW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.56
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133334134) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133334134
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(N(C)C3CCc4ccccc43)c2)n1
InChIInChI=1S/C18H18N4O/c1-12-20-18(23-21-12)14-9-10-19-17(11-14)22(2)16-8-7-13-5-3-4-6-15(13)16/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeyABIBHMVSDWDBQW-UHFFFAOYSA-N
XLogP3.56
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133334134) is N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2ccnc(N(C)C3CCc4ccccc43)c2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is ABIBHMVSDWDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-20-18(23-21-12)14-9-10-19-17(11-14)22(2)16-8-7-13-5-3-4-6-15(13)16/h3-6,9-11,16H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133334134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).