N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

C20H25N3O3 — CID 109206939

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(NCC3CCCO3)ccn2)cc1
InChIInChI=1S/C20H25N3O3/c1-25-17-6-4-15(5-7-17)8-10-22-20(24)19-13-16(9-11-21-19)23-14-18-3-2-12-26-18/h4-7,9,11,13,18H,2-3,8,10,12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyJDOLSGYNABJUPK-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.65
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109206939) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109206939
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(NCC3CCCO3)ccn2)cc1
InChIInChI=1S/C20H25N3O3/c1-25-17-6-4-15(5-7-17)8-10-22-20(24)19-13-16(9-11-21-19)23-14-18-3-2-12-26-18/h4-7,9,11,13,18H,2-3,8,10,12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyJDOLSGYNABJUPK-UHFFFAOYSA-N
XLogP2.65
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-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

N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324560
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207018
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
N-[(4-methoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185120
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (CID 109206939) is N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is COc1ccc(CCNC(=O)c2cc(NCC3CCCO3)ccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is JDOLSGYNABJUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-6-4-15(5-7-17)8-10-22-20(24)19-13-16(9-11-21-19)23-14-18-3-2-12-26-18/h4-7,9,11,13,18H,2-3,8,10,12,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109206939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).