4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide

C22H21N3O3 — CID 109212418

IUPAC4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C22H21N3O3/c26-22(24-10-8-16-4-2-1-3-5-16)19-13-18(9-11-23-19)25-14-17-6-7-20-21(12-17)28-15-27-20/h1-7,9,11-13H,8,10,14-15H2,(H,23,25)(H,24,26)
InChIKeyDJRLEVYVFXXCCU-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.39
Rot. Bonds7

About 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide

4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109212418) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109212418
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C22H21N3O3/c26-22(24-10-8-16-4-2-1-3-5-16)19-13-18(9-11-23-19)25-14-17-6-7-20-21(12-17)28-15-27-20/h1-7,9,11-13H,8,10,14-15H2,(H,23,25)(H,24,26)
InChIKeyDJRLEVYVFXXCCU-UHFFFAOYSA-N
XLogP3.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206048
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109212347
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109212344
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211697
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
6-(1,3-benzodioxol-5-ylmethylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109370495
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-(1,3-benzodioxol-5-ylmethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206751
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109212480
N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210757

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109212418) is 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cc(NCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is DJRLEVYVFXXCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(24-10-8-16-4-2-1-3-5-16)19-13-18(9-11-23-19)25-14-17-6-7-20-21(12-17)28-15-27-20/h1-7,9,11-13H,8,10,14-15H2,(H,23,25)(H,24,26).
What are the key properties of 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide?
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).