N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C23H23N3O4 — CID 95803111

IUPACN-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H23N3O4/c27-23(20-5-1-2-10-24-20)26(15-19-4-3-13-28-19)17-8-11-25(12-9-17)18-6-7-21-22(14-18)30-16-29-21/h1-7,10,13-14,17H,8-9,11-12,15-16H2
InChIKeyOFBZNUZLJKARPN-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.71
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 95803111) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID95803111
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H23N3O4/c27-23(20-5-1-2-10-24-20)26(15-19-4-3-13-28-19)17-8-11-25(12-9-17)18-6-7-21-22(14-18)30-16-29-21/h1-7,10,13-14,17H,8-9,11-12,15-16H2
InChIKeyOFBZNUZLJKARPN-UHFFFAOYSA-N
XLogP3.71
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
4-(dimethylamino)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 86804672
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
1-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzylpiperidin-4-yl)-3-(furan-2-ylmethyl)urea
CID 20908096
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide
CID 171975434
1-(1,3-benzodioxol-5-yl)piperidine-4-carboxylic acid
CID 59023367
N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78883208
2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 113255537
4-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209418
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 95803111) is N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(c1ccccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is OFBZNUZLJKARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-23(20-5-1-2-10-24-20)26(15-19-4-3-13-28-19)17-8-11-25(12-9-17)18-6-7-21-22(14-18)30-16-29-21/h1-7,10,13-14,17H,8-9,11-12,15-16H2.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 95803111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).