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

C19H21Cl2N3O2 — CID 109088909

IUPAC4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)17-11-14(8-9-22-17)18(25)23-10-7-13-5-6-15(20)12-16(13)21/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,23,25)
InChIKeyCBTBVRDRCQNMDH-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.84
Rot. Bonds7

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

4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide (PubChem CID 109088909) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide
PubChem CID109088909
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)17-11-14(8-9-22-17)18(25)23-10-7-13-5-6-15(20)12-16(13)21/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,23,25)
InChIKeyCBTBVRDRCQNMDH-UHFFFAOYSA-N
XLogP3.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
2-N,2-N-diethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088102
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373410
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
4-N-(2,6-difluorophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109089015
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205915
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide (CID 109088909) is 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide is CCN(CC)C(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ccn1.
What is the InChIKey of 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide?
The InChIKey is CBTBVRDRCQNMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)17-11-14(8-9-22-17)18(25)23-10-7-13-5-6-15(20)12-16(13)21/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,23,25).
What are the key properties of 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide?
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide has a molecular weight of 394.30 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).