N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide

C18H21Cl2N3O — CID 109151833

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCC(C)CNc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H21Cl2N3O/c1-12(2)10-22-17-6-4-14(11-23-17)18(24)21-8-7-13-3-5-15(19)9-16(13)20/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCROKNCAARJVDDM-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.43
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 109151833) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID109151833
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCC(C)CNc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H21Cl2N3O/c1-12(2)10-22-17-6-4-14(11-23-17)18(24)21-8-7-13-3-5-15(19)9-16(13)20/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCROKNCAARJVDDM-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151889
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181090
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151811
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
6-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153660
N-[2-(2,4-dichlorophenyl)ethyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109484
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252745
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide (CID 109151833) is N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide is CC(C)CNc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is CROKNCAARJVDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-12(2)10-22-17-6-4-14(11-23-17)18(24)21-8-7-13-3-5-15(19)9-16(13)20/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 366.29 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109151833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).