2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide

C20H23N3O3 — CID 109175070

IUPAC2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H23N3O3/c24-20(23-15-5-3-1-2-4-6-15)14-9-10-21-19(11-14)22-16-7-8-17-18(12-16)26-13-25-17/h7-12,15H,1-6,13H2,(H,21,22)(H,23,24)
InChIKeyFHMZIAWVTBSNJH-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.01
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide

2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide (PubChem CID 109175070) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
PubChem CID109175070
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H23N3O3/c24-20(23-15-5-3-1-2-4-6-15)14-9-10-21-19(11-14)22-16-7-8-17-18(12-16)26-13-25-17/h7-12,15H,1-6,13H2,(H,21,22)(H,23,24)
InChIKeyFHMZIAWVTBSNJH-UHFFFAOYSA-N
XLogP4.01
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.01
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
5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide
CID 109226786
2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176718
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
CID 109166315
2-(1,3-benzodioxol-5-ylamino)-N-(3-chlorophenyl)pyridine-4-carboxamide
CID 109177450
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 109173834
2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168006
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177107
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177657
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109048581
6-(1,3-benzodioxol-5-ylamino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361128

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide (CID 109175070) is 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide is O=C(NC1CCCCCC1)c1ccnc(Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide?
The InChIKey is FHMZIAWVTBSNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(23-15-5-3-1-2-4-6-15)14-9-10-21-19(11-14)22-16-7-8-17-18(12-16)26-13-25-17/h7-12,15H,1-6,13H2,(H,21,22)(H,23,24).
What are the key properties of 2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide?
2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 4.01, 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-cycloheptylpyridine-4-carboxamide is sourced from PubChem (CID 109175070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).