6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C20H19ClN4O — CID 109157940

IUPAC6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H19ClN4O/c21-18-6-3-15(4-7-18)9-11-23-19-8-5-17(14-24-19)20(26)25-13-16-2-1-10-22-12-16/h1-8,10,12,14H,9,11,13H2,(H,23,24)(H,25,26)
InChIKeyGOFNRZZUMJOWKM-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.71
Rot. Bonds7

About 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109157940) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109157940
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H19ClN4O/c21-18-6-3-15(4-7-18)9-11-23-19-8-5-17(14-24-19)20(26)25-13-16-2-1-10-22-12-16/h1-8,10,12,14H,9,11,13H2,(H,23,24)(H,25,26)
InChIKeyGOFNRZZUMJOWKM-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
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151889
N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157669
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109157940) is 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(NCCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GOFNRZZUMJOWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-18-6-3-15(4-7-18)9-11-23-19-8-5-17(14-24-19)20(26)25-13-16-2-1-10-22-12-16/h1-8,10,12,14H,9,11,13H2,(H,23,24)(H,25,26).
What are the key properties of 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)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 6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109157940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).