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

C19H25N3O2 — CID 109202505

IUPACN-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(NCCc2ccccc2OC)ccn1
InChIInChI=1S/C19H25N3O2/c1-3-4-11-22-19(23)17-14-16(10-13-21-17)20-12-9-15-7-5-6-8-18(15)24-2/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyVQVUCXQLTYGENJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.27
Rot. Bonds9

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

N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109202505) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109202505
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(NCCc2ccccc2OC)ccn1
InChIInChI=1S/C19H25N3O2/c1-3-4-11-22-19(23)17-14-16(10-13-21-17)20-12-9-15-7-5-6-8-18(15)24-2/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyVQVUCXQLTYGENJ-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

N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109214267
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
4-(2-ethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214285
N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
4-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214268
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109202505) is N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide is CCCCNC(=O)c1cc(NCCc2ccccc2OC)ccn1.
What is the InChIKey of N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is VQVUCXQLTYGENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-4-11-22-19(23)17-14-16(10-13-21-17)20-12-9-15-7-5-6-8-18(15)24-2/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-butyl-4-[2-(2-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-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109202505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).