2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide

C19H22N2O — CID 146487051

IUPAC2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
SMILESCCC1CC(C)(C)c2cccc(-c3ncccc3C(N)=O)c21
InChIInChI=1S/C19H22N2O/c1-4-12-11-19(2,3)15-9-5-7-13(16(12)15)17-14(18(20)22)8-6-10-21-17/h5-10,12H,4,11H2,1-3H3,(H2,20,22)
InChIKeyYGQIPHPNQQZCTJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.02
Rot. Bonds3

About 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide

2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide (PubChem CID 146487051) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
PubChem CID146487051
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
SMILESCCC1CC(C)(C)c2cccc(-c3ncccc3C(N)=O)c21
InChIInChI=1S/C19H22N2O/c1-4-12-11-19(2,3)15-9-5-7-13(16(12)15)17-14(18(20)22)8-6-10-21-17/h5-10,12H,4,11H2,1-3H3,(H2,20,22)
InChIKeyYGQIPHPNQQZCTJ-UHFFFAOYSA-N
XLogP4.02
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide (CID 146487051) is 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide is CCC1CC(C)(C)c2cccc(-c3ncccc3C(N)=O)c21.
What is the InChIKey of 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide?
The InChIKey is YGQIPHPNQQZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-12-11-19(2,3)15-9-5-7-13(16(12)15)17-14(18(20)22)8-6-10-21-17/h5-10,12H,4,11H2,1-3H3,(H2,20,22).
What are the key properties of 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide?
2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 146487051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).