N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide

C28H36N6O3S — CID 70252323

IUPACN-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESNc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C28H36N6O3S/c29-24-20-38-21-26(24)32-27(35)25-10-9-23(18-31-25)19-34(13-5-12-33-14-16-37-17-15-33)28(36)30-11-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-10,18,20-21H,4-5,8,11-17,19,29H2,(H,30,36)(H,32,35)
InChIKeyFBNLQYXVMYXCKB-UHFFFAOYSA-N
MW536.70 g/mol
LogP3.84
Rot. Bonds12

About N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide

N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 70252323) has the molecular formula C28H36N6O3S and a molecular weight of 536.70 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide
PubChem CID70252323
Molecular FormulaC28H36N6O3S
Molecular Weight536.70 g/mol
Exact Mass536.26
IUPAC NameN-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESNc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C28H36N6O3S/c29-24-20-38-21-26(24)32-27(35)25-10-9-23(18-31-25)19-34(13-5-12-33-14-16-37-17-15-33)28(36)30-11-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-10,18,20-21H,4-5,8,11-17,19,29H2,(H,30,36)(H,32,35)
InChIKeyFBNLQYXVMYXCKB-UHFFFAOYSA-N
XLogP3.84
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.70
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-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-(4-aminothiophen-3-yl)-4-[[benzylcarbamoyl(3-morpholin-4-ylpropyl)amino]methyl]benzamide
CID 67054227
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59224973
N-(2-aminophenyl)-5-[[[(E)-but-2-en-2-yl]carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 145488672
N-(4-aminothiophen-3-yl)-5-[4-morpholin-4-yl-1-(2-phenylethylcarbamoylamino)butyl]pyridine-2-carboxamide
CID 67054377
1-[[4-[2-(4-aminothiophen-3-yl)acetyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 58208131
tert-butyl N-[4-[2-[5-[[4-morpholin-4-ylbutyl(2-phenylethylcarbamoyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208229
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 25030537
N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-phenylphenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide
CID 67054223
tert-butyl N-[2-[[5-[[3-morpholin-4-ylpropyl(propylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59224937
N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide
CID 67054117
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl-[1-(phenacylamino)ethenyl]amino]methyl]pyridine-2-carboxamide
CID 89119886
N-(2-aminophenyl)-5-[[(2-methoxyphenyl)carbamoyl-(5-morpholin-4-ylpentyl)amino]methyl]pyridine-2-carboxamide
CID 59225224

Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide (CID 70252323) is N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide is Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is FBNLQYXVMYXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3S/c29-24-20-38-21-26(24)32-27(35)25-10-9-23(18-31-25)19-34(13-5-12-33-14-16-37-17-15-33)28(36)30-11-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-10,18,20-21H,4-5,8,11-17,19,29H2,(H,30,36)(H,32,35).
What are the key properties of N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 536.70 g/mol, XLogP of 3.84, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 70252323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).