N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide

C26H29ClN4O2 — CID 45273745

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
SMILESO=C(CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccncc1)C1CCCCC1
InChIInChI=1S/C26H29ClN4O2/c27-21-7-8-22-23(11-15-30-24(22)17-21)29-12-4-16-31(26(33)20-9-13-28-14-10-20)18-25(32)19-5-2-1-3-6-19/h7-11,13-15,17,19H,1-6,12,16,18H2,(H,29,30)
InChIKeyCIHIURCSRDKUSK-UHFFFAOYSA-N
MW465.00 g/mol
LogP5.38
Rot. Bonds9

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide (PubChem CID 45273745) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
PubChem CID45273745
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
SMILESO=C(CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccncc1)C1CCCCC1
InChIInChI=1S/C26H29ClN4O2/c27-21-7-8-22-23(11-15-30-24(22)17-21)29-12-4-16-31(26(33)20-9-13-28-14-10-20)18-25(32)19-5-2-1-3-6-19/h7-11,13-15,17,19H,1-6,12,16,18H2,(H,29,30)
InChIKeyCIHIURCSRDKUSK-UHFFFAOYSA-N
XLogP5.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide (CID 45273745) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide is O=C(CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccncc1)C1CCCCC1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide?
The InChIKey is CIHIURCSRDKUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c27-21-7-8-22-23(11-15-30-24(22)17-21)29-12-4-16-31(26(33)20-9-13-28-14-10-20)18-25(32)19-5-2-1-3-6-19/h7-11,13-15,17,19H,1-6,12,16,18H2,(H,29,30).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide has a molecular weight of 465.00 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide is sourced from PubChem (CID 45273745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).