N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide

C24H24N4O5 — CID 59848898

IUPACN-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide
SMILESCOC(C)C(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C24H24N4O5/c1-15(31-2)23(29)28-22-11-16(9-10-25-22)13-26-19-6-4-3-5-18(19)24(30)27-17-7-8-20-21(12-17)33-14-32-20/h3-12,15,26H,13-14H2,1-2H3,(H,27,30)(H,25,28,29)
InChIKeyGLUOHTCGJOZMSF-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.65
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide

N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide (PubChem CID 59848898) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide
PubChem CID59848898
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide
SMILESCOC(C)C(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C24H24N4O5/c1-15(31-2)23(29)28-22-11-16(9-10-25-22)13-26-19-6-4-3-5-18(19)24(30)27-17-7-8-20-21(12-17)33-14-32-20/h3-12,15,26H,13-14H2,1-2H3,(H,27,30)(H,25,28,29)
InChIKeyGLUOHTCGJOZMSF-UHFFFAOYSA-N
XLogP3.65
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[2-[(3-methoxyphenyl)carbamoylamino]-4-pyridinyl]methylamino]benzamide
CID 59848907
2-[2-[[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]amino]-2-oxoethoxy]acetic acid
CID 69253027
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602707
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59848950
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[2-(oxolan-2-ylmethylamino)-4-pyridinyl]methylamino]benzamide
CID 59848909
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-anilinobenzoate
CID 7857692
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxylic acid
CID 59848965
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606682
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109171474

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide (CID 59848898) is N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide is COC(C)C(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide?
The InChIKey is GLUOHTCGJOZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-15(31-2)23(29)28-22-11-16(9-10-25-22)13-26-19-6-4-3-5-18(19)24(30)27-17-7-8-20-21(12-17)33-14-32-20/h3-12,15,26H,13-14H2,1-2H3,(H,27,30)(H,25,28,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide?
N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide has a molecular weight of 448.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide is sourced from PubChem (CID 59848898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).