5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide

Name: 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₁N₃O₃ — CID 109226786

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide

SMILESO=C(NC1CCCCC1)c1cncc(Nc2ccc3c(c2)OCO3)c1

InChIInChI=1S/C19H21N3O3/c23-19(22-14-4-2-1-3-5-14)13-8-16(11-20-10-13)21-15-6-7-17-18(9-15)25-12-24-17/h6-11,14,21H,1-5,12H2,(H,22,23)

InChIKeyRJCLFASUYJXAGL-UHFFFAOYSA-N

MW339.40 g/mol

LogP3.62

Rot. Bonds4

About 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide (PubChem CID 109226786) has the molecular formula C₁₉H₂₁N₃O₃ and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide.

Molecular Properties

Compound Name	5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide
PubChem CID	109226786
Molecular Formula	C₁₉H₂₁N₃O₃
Molecular Weight	339.40 g/mol
Exact Mass	339.16
IUPAC Name	5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide
SMILES	O=C(NC1CCCCC1)c1cncc(Nc2ccc3c(c2)OCO3)c1
InChI	InChI=1S/C19H21N3O3/c23-19(22-14-4-2-1-3-5-14)13-8-16(11-20-10-13)21-15-6-7-17-18(9-15)25-12-24-17/h6-11,14,21H,1-5,12H2,(H,22,23)
InChIKey	RJCLFASUYJXAGL-UHFFFAOYSA-N
XLogP	3.62
TPSA	72.48 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide?

The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide (CID 109226786) is 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide.

What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide?

The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide is O=C(NC1CCCCC1)c1cncc(Nc2ccc3c(c2)OCO3)c1.

What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide?

The InChIKey is RJCLFASUYJXAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(22-14-4-2-1-3-5-14)13-8-16(11-20-10-13)21-15-6-7-17-18(9-15)25-12-24-17/h6-11,14,21H,1-5,12H2,(H,22,23).

What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide?

5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide is sourced from PubChem (CID 109226786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 109226786 — identifiers, structure, computed properties (public domain)

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