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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide
CID 46953653
1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea
CID 118354280
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 60636372
(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 95895548
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39080906
5-(3-hydroxyprop-1-ynyl)-N,4-dimethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 79976121
N-methyl-N-piperidin-4-yl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 119442212
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2-methyl-4-pyridinyl)benzamide
CID 119058550
N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide
CID 2347966
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573
N'-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108507261
N-methyl-4-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 55042558

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).