N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide

C19H25N3O2 — CID 109180664

IUPACN-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(NCCc2ccc(OC)cc2)cn1
InChIInChI=1S/C19H25N3O2/c1-3-4-12-21-19(23)18-10-7-16(14-22-18)20-13-11-15-5-8-17(24-2)9-6-15/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,21,23)
InChIKeyHMFYJXHZDHZNCW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.27
Rot. Bonds9

About N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide

N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109180664) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109180664
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(NCCc2ccc(OC)cc2)cn1
InChIInChI=1S/C19H25N3O2/c1-3-4-12-21-19(23)18-10-7-16(14-22-18)20-13-11-15-5-8-17(24-2)9-6-15/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,21,23)
InChIKeyHMFYJXHZDHZNCW-UHFFFAOYSA-N
XLogP3.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180272
5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109179073
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
2-[2-(4-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308814
5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
CID 109180864
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109180664) is N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide is CCCCNC(=O)c1ccc(NCCc2ccc(OC)cc2)cn1.
What is the InChIKey of N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is HMFYJXHZDHZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-4-12-21-19(23)18-10-7-16(14-22-18)20-13-11-15-5-8-17(24-2)9-6-15/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109180664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).