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

C19H21N3O3 — CID 109226786

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 Name5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide
PubChem CID109226786
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-(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
XLogP3.62
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide
CID 109239565
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
CID 109175070
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109226017
5-(1,3-benzodioxol-5-ylamino)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109234631
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109225984
N-cyclopentyl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109226052
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
5-(1,3-benzodioxol-5-ylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 109227479
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558

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).