Skip to content

2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide

C20H16ClN3O3 — CID 109177657

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccnc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H16ClN3O3/c1-12-8-14(21)2-4-16(12)24-20(25)13-6-7-22-19(9-13)23-15-3-5-17-18(10-15)27-11-26-17/h2-10H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyFFIBMNIVWCGNPE-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.77
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide

2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 109177657) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
PubChem CID109177657
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccnc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H16ClN3O3/c1-12-8-14(21)2-4-16(12)24-20(25)13-6-7-22-19(9-13)23-15-3-5-17-18(10-15)27-11-26-17/h2-10H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyFFIBMNIVWCGNPE-UHFFFAOYSA-N
XLogP4.77
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide (CID 109177657) is 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccnc(Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is FFIBMNIVWCGNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-12-8-14(21)2-4-16(12)24-20(25)13-6-7-22-19(9-13)23-15-3-5-17-18(10-15)27-11-26-17/h2-10H,11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide?
2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.