N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide

C24H31N5OS — CID 20883681

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C24H31N5OS/c1-2-20-6-3-4-14-29(20)15-5-12-26-23(30)19-9-7-18(8-10-19)17-31-24-27-21-11-13-25-16-22(21)28-24/h7-11,13,16,20H,2-6,12,14-15,17H2,1H3,(H,26,30)(H,27,28)
InChIKeyWSKQHJLJHUHLDN-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.63
Rot. Bonds9

About N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 20883681) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID20883681
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C24H31N5OS/c1-2-20-6-3-4-14-29(20)15-5-12-26-23(30)19-9-7-18(8-10-19)17-31-24-27-21-11-13-25-16-22(21)28-24/h7-11,13,16,20H,2-6,12,14-15,17H2,1H3,(H,26,30)(H,27,28)
InChIKeyWSKQHJLJHUHLDN-UHFFFAOYSA-N
XLogP4.63
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide 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-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 78813369
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
N-[3-(2-ethylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 143609530
1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea
CID 133154592
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384777
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 24804900
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(diethylamino)ethyl]benzamide
CID 30550229
3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 22423195

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide (CID 20883681) is N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide is CCC1CCCCN1CCCNC(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is WSKQHJLJHUHLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-2-20-6-3-4-14-29(20)15-5-12-26-23(30)19-9-7-18(8-10-19)17-31-24-27-21-11-13-25-16-22(21)28-24/h7-11,13,16,20H,2-6,12,14-15,17H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 437.61 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 20883681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).