5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide

C16H19N3O2 — CID 119500985

IUPAC5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
SMILESCNCCNC(=O)c1cncc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C16H19N3O2/c1-17-7-8-19-16(20)14-9-13(10-18-11-14)12-3-5-15(21-2)6-4-12/h3-6,9-11,17H,7-8H2,1-2H3,(H,19,20)
InChIKeyPCYSCYCPBHRSHP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.71
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide

5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide (PubChem CID 119500985) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
PubChem CID119500985
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
SMILESCNCCNC(=O)c1cncc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C16H19N3O2/c1-17-7-8-19-16(20)14-9-13(10-18-11-14)12-3-5-15(21-2)6-4-12/h3-6,9-11,17H,7-8H2,1-2H3,(H,19,20)
InChIKeyPCYSCYCPBHRSHP-UHFFFAOYSA-N
XLogP1.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.71
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

7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
5-(4-methoxyphenyl)-N-piperidin-4-ylpyridine-3-carboxamide
CID 71730777
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53010769
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
CID 119475519
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide (CID 119500985) is 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide is CNCCNC(=O)c1cncc(-c2ccc(OC)cc2)c1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is PCYSCYCPBHRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-7-8-19-16(20)14-9-13(10-18-11-14)12-3-5-15(21-2)6-4-12/h3-6,9-11,17H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide?
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 119500985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).