N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide

C20H27N3O2 — CID 109167064

IUPACN-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C20H27N3O2/c1-14(2)17-8-5-7-15(3)19(17)23-18-13-16(9-11-21-18)20(24)22-10-6-12-25-4/h5,7-9,11,13-14H,6,10,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKECASCUEKUPRKD-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.02
Rot. Bonds8

About N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide

N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide (PubChem CID 109167064) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
PubChem CID109167064
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C20H27N3O2/c1-14(2)17-8-5-7-15(3)19(17)23-18-13-16(9-11-21-18)20(24)22-10-6-12-25-4/h5,7-9,11,13-14H,6,10,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKECASCUEKUPRKD-UHFFFAOYSA-N
XLogP4.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-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-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172019
2-(2-ethyl-6-methylanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166794
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
6-N-(3-methoxypropyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112856928
N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177154
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109151740
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052582
2-(2,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172748
2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide (CID 109167064) is N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2c(C)cccc2C(C)C)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide?
The InChIKey is KECASCUEKUPRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)17-8-5-7-15(3)19(17)23-18-13-16(9-11-21-18)20(24)22-10-6-12-25-4/h5,7-9,11,13-14H,6,10,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide?
N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109167064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).