3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide

C23H30N4O — CID 66799357

IUPAC3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(N)CC2(C)C)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C23H30N4O/c1-23(2)15-21(24)19-14-16(4-5-20(19)23)22(28)26(3)17-8-12-27(13-9-17)18-6-10-25-11-7-18/h4-7,10-11,14,17,21H,8-9,12-13,15,24H2,1-3H3
InChIKeyGHAOXZZMMJVIMQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.50
Rot. Bonds3

About 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide

3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide (PubChem CID 66799357) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide
PubChem CID66799357
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(N)CC2(C)C)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C23H30N4O/c1-23(2)15-21(24)19-14-16(4-5-20(19)23)22(28)26(3)17-8-12-27(13-9-17)18-6-10-25-11-7-18/h4-7,10-11,14,17,21H,8-9,12-13,15,24H2,1-3H3
InChIKeyGHAOXZZMMJVIMQ-UHFFFAOYSA-N
XLogP3.50
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide?
The IUPAC name of 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide (CID 66799357) is 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide.
What is the SMILES notation for 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide?
The canonical SMILES for 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide is CN(C(=O)c1ccc2c(c1)C(N)CC2(C)C)C1CCN(c2ccncc2)CC1.
What is the InChIKey of 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide?
The InChIKey is GHAOXZZMMJVIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-23(2)15-21(24)19-14-16(4-5-20(19)23)22(28)26(3)17-8-12-27(13-9-17)18-6-10-25-11-7-18/h4-7,10-11,14,17,21H,8-9,12-13,15,24H2,1-3H3.
What are the key properties of 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide?
3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide is sourced from PubChem (CID 66799357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).