5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide

C18H21Cl2N3O — CID 109239385

IUPAC5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)(C)Nc1cncc(C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H21Cl2N3O/c1-18(2,3)23-15-8-13(10-21-11-15)17(24)22-7-6-12-4-5-14(19)9-16(12)20/h4-5,8-11,23H,6-7H2,1-3H3,(H,22,24)
InChIKeyMSLCHTFPBHXSBH-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.57
Rot. Bonds5

About 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide

5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109239385) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109239385
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)(C)Nc1cncc(C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H21Cl2N3O/c1-18(2,3)23-15-8-13(10-21-11-15)17(24)22-7-6-12-4-5-14(19)9-16(12)20/h4-5,8-11,23H,6-7H2,1-3H3,(H,22,24)
InChIKeyMSLCHTFPBHXSBH-UHFFFAOYSA-N
XLogP4.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109353733
2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109332615
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790
[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230127
5-(4-chloro-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236280
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide (CID 109239385) is 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide is CC(C)(C)Nc1cncc(C(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is MSLCHTFPBHXSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-18(2,3)23-15-8-13(10-21-11-15)17(24)22-7-6-12-4-5-14(19)9-16(12)20/h4-5,8-11,23H,6-7H2,1-3H3,(H,22,24).
What are the key properties of 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 366.29 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109239385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).