N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide

C19H24ClN3O — CID 109239903

IUPACN-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1cncc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H24ClN3O/c1-14(2)6-8-22-18-11-16(12-21-13-18)19(24)23-9-7-15-4-3-5-17(20)10-15/h3-5,10-14,22H,6-9H2,1-2H3,(H,23,24)
InChIKeyONYITFMFEZOCNS-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.17
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109239903) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109239903
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1cncc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H24ClN3O/c1-14(2)6-8-22-18-11-16(12-21-13-18)19(24)23-9-7-15-4-3-5-17(20)10-15/h3-5,10-14,22H,6-9H2,1-2H3,(H,23,24)
InChIKeyONYITFMFEZOCNS-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237784
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109236720
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103459
N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109241131
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109241188
N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide (CID 109239903) is N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide is CC(C)CCNc1cncc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is ONYITFMFEZOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14(2)6-8-22-18-11-16(12-21-13-18)19(24)23-9-7-15-4-3-5-17(20)10-15/h3-5,10-14,22H,6-9H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide has a molecular weight of 345.87 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).