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

C20H23N3O3 — CID 109239565

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cncc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H23N3O3/c24-20(23-15-5-3-1-2-4-6-15)14-9-17(12-21-11-14)22-16-7-8-18-19(10-16)26-13-25-18/h7-12,15,22H,1-6,13H2,(H,23,24)
InChIKeyWZYIEJWEGOZKRY-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.01
Rot. Bonds4

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

5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide (PubChem CID 109239565) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide
PubChem CID109239565
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cncc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H23N3O3/c24-20(23-15-5-3-1-2-4-6-15)14-9-17(12-21-11-14)22-16-7-8-18-19(10-16)26-13-25-18/h7-12,15,22H,1-6,13H2,(H,23,24)
InChIKeyWZYIEJWEGOZKRY-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-cyclohexylpyridine-3-carboxamide
CID 109226786
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-cycloheptylpyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide (CID 109239565) is 5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide is O=C(NC1CCCCCC1)c1cncc(Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide?
The InChIKey is WZYIEJWEGOZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(23-15-5-3-1-2-4-6-15)14-9-17(12-21-11-14)22-16-7-8-18-19(10-16)26-13-25-18/h7-12,15,22H,1-6,13H2,(H,23,24).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-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 5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide is sourced from PubChem (CID 109239565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).