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

C25H27ClN4O2 — CID 45267695

IUPACN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
SMILESO=C(CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccncc1)C1CCCCC1
InChIInChI=1S/C25H27ClN4O2/c26-20-6-7-21-22(10-13-28-23(21)16-20)29-14-15-30(25(32)19-8-11-27-12-9-19)17-24(31)18-4-2-1-3-5-18/h6-13,16,18H,1-5,14-15,17H2,(H,28,29)
InChIKeyYLBSLARHUPJZLA-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.99
Rot. Bonds8

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

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide (PubChem CID 45267695) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
PubChem CID45267695
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
SMILESO=C(CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccncc1)C1CCCCC1
InChIInChI=1S/C25H27ClN4O2/c26-20-6-7-21-22(10-13-28-23(21)16-20)29-14-15-30(25(32)19-8-11-27-12-9-19)17-24(31)18-4-2-1-3-5-18/h6-13,16,18H,1-5,14-15,17H2,(H,28,29)
InChIKeyYLBSLARHUPJZLA-UHFFFAOYSA-N
XLogP4.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide (CID 45267695) is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide is O=C(CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccncc1)C1CCCCC1.
What is the InChIKey of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide?
The InChIKey is YLBSLARHUPJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c26-20-6-7-21-22(10-13-28-23(21)16-20)29-14-15-30(25(32)19-8-11-27-12-9-19)17-24(31)18-4-2-1-3-5-18/h6-13,16,18H,1-5,14-15,17H2,(H,28,29).
What are the key properties of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide?
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide has a molecular weight of 450.97 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide is sourced from PubChem (CID 45267695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).