N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide

C22H20FN3O3 — CID 109212347

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C22H20FN3O3/c23-18-4-2-1-3-16(18)7-9-24-17-8-10-25-19(12-17)22(27)26-13-15-5-6-20-21(11-15)29-14-28-20/h1-6,8,10-12H,7,9,13-14H2,(H,24,25)(H,26,27)
InChIKeyJFHIZWBBPNNHTI-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.53
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109212347) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109212347
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C22H20FN3O3/c23-18-4-2-1-3-16(18)7-9-24-17-8-10-25-19(12-17)22(27)26-13-15-5-6-20-21(11-15)29-14-28-20/h1-6,8,10-12H,7,9,13-14H2,(H,24,25)(H,26,27)
InChIKeyJFHIZWBBPNNHTI-UHFFFAOYSA-N
XLogP3.53
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212418
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211697
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109212344
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206048
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210757
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210289
4-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086470
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide (CID 109212347) is N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc(NCCc2ccccc2F)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is JFHIZWBBPNNHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-18-4-2-1-3-16(18)7-9-24-17-8-10-25-19(12-17)22(27)26-13-15-5-6-20-21(11-15)29-14-28-20/h1-6,8,10-12H,7,9,13-14H2,(H,24,25)(H,26,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109212347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).