N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide

C20H17N3O3 — CID 112982804

IUPACN-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NCc2ccc3c(c2)OCO3)cc1)c1cccnc1
InChIInChI=1S/C20H17N3O3/c24-20(15-2-1-9-21-12-15)23-17-6-4-16(5-7-17)22-11-14-3-8-18-19(10-14)26-13-25-18/h1-10,12,22H,11,13H2,(H,23,24)
InChIKeyFSJJUFZEFOFLMB-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.67
Rot. Bonds5

About N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide

N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 112982804) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
PubChem CID112982804
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NCc2ccc3c(c2)OCO3)cc1)c1cccnc1
InChIInChI=1S/C20H17N3O3/c24-20(15-2-1-9-21-12-15)23-17-6-4-16(5-7-17)22-11-14-3-8-18-19(10-14)26-13-25-18/h1-10,12,22H,11,13H2,(H,23,24)
InChIKeyFSJJUFZEFOFLMB-UHFFFAOYSA-N
XLogP3.67
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
CID 112982779
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
5-(1,3-benzodioxol-5-ylmethylamino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109234698
N-[4-[[(3-amino-2,2-dimethylpropyl)-(1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 23880697
N'-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22542620
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135
N-[4-[(4-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982174
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109234686
2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-pyridin-3-ylpyrimidine-5-carboxamide
CID 46345686
N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide
CID 109157444

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide (CID 112982804) is N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(NCc2ccc3c(c2)OCO3)cc1)c1cccnc1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is FSJJUFZEFOFLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-20(15-2-1-9-21-12-15)23-17-6-4-16(5-7-17)22-11-14-3-8-18-19(10-14)26-13-25-18/h1-10,12,22H,11,13H2,(H,23,24).
What are the key properties of N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide?
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 112982804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).