5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide

C18H22ClN3O — CID 109181634

IUPAC5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H22ClN3O/c1-3-13(2)22-16-8-9-17(21-12-16)18(23)20-11-10-14-4-6-15(19)7-5-14/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyQLZMTOQQTFPMGX-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.92
Rot. Bonds7

About 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide

5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109181634) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109181634
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H22ClN3O/c1-3-13(2)22-16-8-9-17(21-12-16)18(23)20-11-10-14-4-6-15(19)7-5-14/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyQLZMTOQQTFPMGX-UHFFFAOYSA-N
XLogP3.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109273358
5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109181620
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
N-[2-(4-chlorophenyl)ethyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182393
5-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 109181759
N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide (CID 109181634) is 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide is CCC(C)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is QLZMTOQQTFPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-13(2)22-16-8-9-17(21-12-16)18(23)20-11-10-14-4-6-15(19)7-5-14/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,20,23).
What are the key properties of 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide?
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109181634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).