N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C20H18Cl2N4O — CID 10135653

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cccnc1NCc1ccncc1
InChIInChI=1S/C20H18Cl2N4O/c21-16-4-3-15(18(22)12-16)7-11-25-20(27)17-2-1-8-24-19(17)26-13-14-5-9-23-10-6-14/h1-6,8-10,12H,7,11,13H2,(H,24,26)(H,25,27)
InChIKeyASGOWZRDZOAWCR-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.37
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10135653) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10135653
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cccnc1NCc1ccncc1
InChIInChI=1S/C20H18Cl2N4O/c21-16-4-3-15(18(22)12-16)7-11-25-20(27)17-2-1-8-24-19(17)26-13-14-5-9-23-10-6-14/h1-6,8-10,12H,7,11,13H2,(H,24,26)(H,25,27)
InChIKeyASGOWZRDZOAWCR-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235630
2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 10136336
N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10295933
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
N-[2-(2,4-dichlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46651015
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 4845951
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10135653) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is ASGOWZRDZOAWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c21-16-4-3-15(18(22)12-16)7-11-25-20(27)17-2-1-8-24-19(17)26-13-14-5-9-23-10-6-14/h1-6,8-10,12H,7,11,13H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 401.30 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10135653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).