N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide

C26H27N3O2S — CID 91311253

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc(-c3ccncc3)c(C3Cc4ccccc4C3=O)s2)CC1
InChIInChI=1S/C26H27N3O2S/c1-28-13-9-19(10-14-28)29(2)26(31)23-16-21(17-7-11-27-12-8-17)25(32-23)22-15-18-5-3-4-6-20(18)24(22)30/h3-8,11-12,16,19,22H,9-10,13-15H2,1-2H3
InChIKeyDHFGAWMYDKPTTK-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.50
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 91311253) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide
PubChem CID91311253
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc(-c3ccncc3)c(C3Cc4ccccc4C3=O)s2)CC1
InChIInChI=1S/C26H27N3O2S/c1-28-13-9-19(10-14-28)29(2)26(31)23-16-21(17-7-11-27-12-8-17)25(32-23)22-15-18-5-3-4-6-20(18)24(22)30/h3-8,11-12,16,19,22H,9-10,13-15H2,1-2H3
InChIKeyDHFGAWMYDKPTTK-UHFFFAOYSA-N
XLogP4.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide (CID 91311253) is N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide is CN1CCC(N(C)C(=O)c2cc(-c3ccncc3)c(C3Cc4ccccc4C3=O)s2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is DHFGAWMYDKPTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-28-13-9-19(10-14-28)29(2)26(31)23-16-21(17-7-11-27-12-8-17)25(32-23)22-15-18-5-3-4-6-20(18)24(22)30/h3-8,11-12,16,19,22H,9-10,13-15H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 91311253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).