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

C17H21N3O2 — CID 74243419

IUPACN-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C17H21N3O2/c1-18-16-12-14(9-11-19-16)17(21)20-10-3-4-13-5-7-15(22-2)8-6-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYZGVNLURZQPZEA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.49
Rot. Bonds7

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

N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 74243419) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID74243419
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C17H21N3O2/c1-18-16-12-14(9-11-19-16)17(21)20-10-3-4-13-5-7-15(22-2)8-6-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYZGVNLURZQPZEA-UHFFFAOYSA-N
XLogP2.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.49
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-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165735
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 62185207
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide (CID 74243419) is N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCCc2ccc(OC)cc2)ccn1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is YZGVNLURZQPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-18-16-12-14(9-11-19-16)17(21)20-10-3-4-13-5-7-15(22-2)8-6-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide?
N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 74243419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).