N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide

C18H19N3O3 — CID 46484817

IUPACN-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H19N3O3/c22-18(20-13-6-7-15-16(11-13)24-12-23-15)14-5-4-8-19-17(14)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,20,22)
InChIKeyPIAFRYBVZZXBGH-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.05
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 46484817) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID46484817
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H19N3O3/c22-18(20-13-6-7-15-16(11-13)24-12-23-15)14-5-4-8-19-17(14)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,20,22)
InChIKeyPIAFRYBVZZXBGH-UHFFFAOYSA-N
XLogP3.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952513
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 37162940
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 4795088
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458
N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
CID 110701467
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide (CID 46484817) is N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cccnc1N1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is PIAFRYBVZZXBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18(20-13-6-7-15-16(11-13)24-12-23-15)14-5-4-8-19-17(14)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 46484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).