5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide

C31H36N6O4 — CID 118901235

IUPAC5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(N(CCOC)c3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)ccc21
InChIInChI=1S/C31H36N6O4/c1-32-31(40)37-16-10-24-19-25(7-8-28(24)37)36(17-18-41-2)26-9-13-33-29(20-26)34-30(39)23-5-3-22(4-6-23)21-35-14-11-27(38)12-15-35/h3-10,13,16,19-20,27,38H,11-12,14-15,17-18,21H2,1-2H3,(H,32,40)(H,33,34,39)
InChIKeyXMZROWQMZZRKSR-UHFFFAOYSA-N
MW556.67 g/mol
LogP4.22
Rot. Bonds9

About 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide

5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide (PubChem CID 118901235) has the molecular formula C31H36N6O4 and a molecular weight of 556.67 g/mol. Its IUPAC name is 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide
PubChem CID118901235
Molecular FormulaC31H36N6O4
Molecular Weight556.67 g/mol
Exact Mass556.28
IUPAC Name5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(N(CCOC)c3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)ccc21
InChIInChI=1S/C31H36N6O4/c1-32-31(40)37-16-10-24-19-25(7-8-28(24)37)36(17-18-41-2)26-9-13-33-29(20-26)34-30(39)23-5-3-22(4-6-23)21-35-14-11-27(38)12-15-35/h3-10,13,16,19-20,27,38H,11-12,14-15,17-18,21H2,1-2H3,(H,32,40)(H,33,34,39)
InChIKeyXMZROWQMZZRKSR-UHFFFAOYSA-N
XLogP4.22
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.67
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-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

5-[[2-[[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 118901290
6-chloro-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 118901053
5-[2-methoxyethyl-[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118900989
5-[[2-[[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzoyl]amino]-4-pyridinyl]-(3-methoxybutyl)amino]-N-methylindole-1-carboxamide
CID 118901124
5-[2-ethoxyethyl-[2-[[4-(1-ethylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901009
ethane;5-[3-methoxypropyl-[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 145020851
5-[ethyl-[2-[[4-[[(5R)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 145020714
5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 118901285
5-[2-fluoroethyl-[2-[[4-(2-morpholin-4-ylethyl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901127
5-[[2-[[4-[1-(1-hydroxypropan-2-yl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]-(2-propan-2-yloxyethyl)amino]-N-methylindole-1-carboxamide
CID 118901027
N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide
CID 145020862
5-[[2-[[3-[[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 145020732

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide?
The IUPAC name of 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide (CID 118901235) is 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(N(CCOC)c3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)ccc21.
What is the InChIKey of 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide?
The InChIKey is XMZROWQMZZRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O4/c1-32-31(40)37-16-10-24-19-25(7-8-28(24)37)36(17-18-41-2)26-9-13-33-29(20-26)34-30(39)23-5-3-22(4-6-23)21-35-14-11-27(38)12-15-35/h3-10,13,16,19-20,27,38H,11-12,14-15,17-18,21H2,1-2H3,(H,32,40)(H,33,34,39).
What are the key properties of 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide?
5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide has a molecular weight of 556.67 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide is sourced from PubChem (CID 118901235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).