N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide

C21H20ClN3O — CID 109169452

IUPACN-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C21H20ClN3O/c22-19-8-4-7-16(13-19)9-11-23-20-14-18(10-12-24-20)21(26)25-15-17-5-2-1-3-6-17/h1-8,10,12-14H,9,11,15H2,(H,23,24)(H,25,26)
InChIKeyIBIWXHKRJSUQMR-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.32
Rot. Bonds7

About N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide

N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109169452) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109169452
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C21H20ClN3O/c22-19-8-4-7-16(13-19)9-11-23-20-14-18(10-12-24-20)21(26)25-15-17-5-2-1-3-6-17/h1-8,10,12-14H,9,11,15H2,(H,23,24)(H,25,26)
InChIKeyIBIWXHKRJSUQMR-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171926
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109175993
2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 109176002
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168856
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide (CID 109169452) is N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is IBIWXHKRJSUQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-19-8-4-7-16(13-19)9-11-23-20-14-18(10-12-24-20)21(26)25-15-17-5-2-1-3-6-17/h1-8,10,12-14H,9,11,15H2,(H,23,24)(H,25,26).
What are the key properties of N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide?
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109169452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).