5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C19H23N3O4 — CID 109228852

IUPAC5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCC3CCCO3)c2)c(OC)c1
InChIInChI=1S/C19H23N3O4/c1-24-15-5-6-17(18(9-15)25-2)22-14-8-13(10-20-11-14)19(23)21-12-16-4-3-7-26-16/h5-6,8-11,16,22H,3-4,7,12H2,1-2H3,(H,21,23)
InChIKeyNHPPXCMDJNDXSW-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.75
Rot. Bonds7

About 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109228852) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109228852
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCC3CCCO3)c2)c(OC)c1
InChIInChI=1S/C19H23N3O4/c1-24-15-5-6-17(18(9-15)25-2)22-14-8-13(10-20-11-14)19(23)21-12-16-4-3-7-26-16/h5-6,8-11,16,22H,3-4,7,12H2,1-2H3,(H,21,23)
InChIKeyNHPPXCMDJNDXSW-UHFFFAOYSA-N
XLogP2.75
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-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-(oxolan-2-ylmethyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228849
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826
4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 109228852) is 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)NCC3CCCO3)c2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NHPPXCMDJNDXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-15-5-6-17(18(9-15)25-2)22-14-8-13(10-20-11-14)19(23)21-12-16-4-3-7-26-16/h5-6,8-11,16,22H,3-4,7,12H2,1-2H3,(H,21,23).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).