2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide

C19H22ClN3O2 — CID 109088785

IUPAC2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-23(4-2)19(25)15-9-11-21-17(13-15)18(24)22-10-8-14-6-5-7-16(20)12-14/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,22,24)
InChIKeyGIRHDTDQWRGCAC-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.19
Rot. Bonds7

About 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide

2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide (PubChem CID 109088785) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
PubChem CID109088785
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-23(4-2)19(25)15-9-11-21-17(13-15)18(24)22-10-8-14-6-5-7-16(20)12-14/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,22,24)
InChIKeyGIRHDTDQWRGCAC-UHFFFAOYSA-N
XLogP3.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109080015
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109216384
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262350
N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
CID 109196611
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088909
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109218485

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide (CID 109088785) is 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide is CCN(CC)C(=O)c1ccnc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The InChIKey is GIRHDTDQWRGCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-23(4-2)19(25)15-9-11-21-17(13-15)18(24)22-10-8-14-6-5-7-16(20)12-14/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,22,24).
What are the key properties of 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).