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

C21H18ClN3O3 — CID 109215494

IUPACN-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H18ClN3O3/c22-15-3-1-14(2-4-15)7-9-23-16-8-10-24-18(11-16)21(26)25-17-5-6-19-20(12-17)28-13-27-19/h1-6,8,10-12H,7,9,13H2,(H,23,24)(H,25,26)
InChIKeyQTAQUHQLNYCYFB-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.37
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109215494) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109215494
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H18ClN3O3/c22-15-3-1-14(2-4-15)7-9-23-16-8-10-24-18(11-16)21(26)25-17-5-6-19-20(12-17)28-13-27-19/h1-6,8,10-12H,7,9,13H2,(H,23,24)(H,25,26)
InChIKeyQTAQUHQLNYCYFB-UHFFFAOYSA-N
XLogP4.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109261477
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211596
N-(1,3-benzodioxol-5-yl)-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109222503
4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109204781
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 109003009
N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
CID 109212473
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212418
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109212347

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide (CID 109215494) is N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(NCCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is QTAQUHQLNYCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-15-3-1-14(2-4-15)7-9-23-16-8-10-24-18(11-16)21(26)25-17-5-6-19-20(12-17)28-13-27-19/h1-6,8,10-12H,7,9,13H2,(H,23,24)(H,25,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.37, 6 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-yl)-4-[2-(4-chlorophenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109215494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).