2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide

C18H23N3O2 — CID 109165037

IUPAC2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(NCCc2cccc(OC)c2)c1
InChIInChI=1S/C18H23N3O2/c1-3-9-21-18(22)15-8-11-20-17(13-15)19-10-7-14-5-4-6-16(12-14)23-2/h4-6,8,11-13H,3,7,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyMDTCKZVTGHGTBO-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.88
Rot. Bonds8

About 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide

2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide (PubChem CID 109165037) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
PubChem CID109165037
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(NCCc2cccc(OC)c2)c1
InChIInChI=1S/C18H23N3O2/c1-3-9-21-18(22)15-8-11-20-17(13-15)19-10-7-14-5-4-6-16(12-14)23-2/h4-6,8,11-13H,3,7,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyMDTCKZVTGHGTBO-UHFFFAOYSA-N
XLogP2.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514
N-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109169233
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172961
N-[2-(3-methoxyphenyl)ethyl]-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170133
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide (CID 109165037) is 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide is CCCNC(=O)c1ccnc(NCCc2cccc(OC)c2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide?
The InChIKey is MDTCKZVTGHGTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-9-21-18(22)15-8-11-20-17(13-15)19-10-7-14-5-4-6-16(12-14)23-2/h4-6,8,11-13H,3,7,9-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide?
2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 109165037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).