N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide

C22H21N3O3 — CID 109177107

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide
SMILESCC(C)c1ccc(Nc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-14(2)15-3-5-17(6-4-15)24-21-11-16(9-10-23-21)22(26)25-18-7-8-19-20(12-18)28-13-27-19/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyWFJXGJBCJDJLJU-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.93
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide (PubChem CID 109177107) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide
PubChem CID109177107
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide
SMILESCC(C)c1ccc(Nc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-14(2)15-3-5-17(6-4-15)24-21-11-16(9-10-23-21)22(26)25-18-7-8-19-20(12-18)28-13-27-19/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyWFJXGJBCJDJLJU-UHFFFAOYSA-N
XLogP4.93
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176718
2-(1,3-benzodioxol-5-ylamino)-N-(3-chlorophenyl)pyridine-4-carboxamide
CID 109177450
2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177657
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
CID 109176917
N-(1,3-benzodioxol-5-yl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177269
4-N-(1,3-benzodioxol-5-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112865548
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283333
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867
2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
CID 109175070
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide (CID 109177107) is N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide is CC(C)c1ccc(Nc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccn2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide?
The InChIKey is WFJXGJBCJDJLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14(2)15-3-5-17(6-4-15)24-21-11-16(9-10-23-21)22(26)25-18-7-8-19-20(12-18)28-13-27-19/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.93, 5 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)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).