N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

C20H19ClN4O — CID 109157669

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C20H19ClN4O/c21-17-7-4-15(5-8-17)10-12-23-20(26)16-6-9-19(24-13-16)25-14-18-3-1-2-11-22-18/h1-9,11,13H,10,12,14H2,(H,23,26)(H,24,25)
InChIKeyZLSIMGAUZMONIA-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.71
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109157669) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109157669
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C20H19ClN4O/c21-17-7-4-15(5-8-17)10-12-23-20(26)16-6-9-19(24-13-16)25-14-18-3-1-2-11-22-18/h1-9,11,13H,10,12,14H2,(H,23,26)(H,24,25)
InChIKeyZLSIMGAUZMONIA-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157940
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151889
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
6-[(2-chlorophenyl)methylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109156772
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255694
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (CID 109157669) is N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(NCc2ccccn2)nc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is ZLSIMGAUZMONIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-17-7-4-15(5-8-17)10-12-23-20(26)16-6-9-19(24-13-16)25-14-18-3-1-2-11-22-18/h1-9,11,13H,10,12,14H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).