N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide

C20H23N3O — CID 11110049

IUPACN-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide
SMILESCN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1
InChIInChI=1S/C20H23N3O/c1-23(2)12-11-22-20(24)19-14-16-5-3-4-6-17(16)18(19)13-15-7-9-21-10-8-15/h3-10H,11-14H2,1-2H3,(H,22,24)
InChIKeyOATWUYJMZFPPQE-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide (PubChem CID 11110049) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide
PubChem CID11110049
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide
SMILESCN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1
InChIInChI=1S/C20H23N3O/c1-23(2)12-11-22-20(24)19-14-16-5-3-4-6-17(16)18(19)13-15-7-9-21-10-8-15/h3-10H,11-14H2,1-2H3,(H,22,24)
InChIKeyOATWUYJMZFPPQE-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide (CID 11110049) is N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide is CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide?
The InChIKey is OATWUYJMZFPPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23(2)12-11-22-20(24)19-14-16-5-3-4-6-17(16)18(19)13-15-7-9-21-10-8-15/h3-10H,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide is sourced from PubChem (CID 11110049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).