N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide

C24H27N5O3 — CID 155534710

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCCO5)[nH]n3)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-29-10-8-19(9-11-29)25-18-5-2-16(3-6-18)24(30)26-23-15-20(27-28-23)17-4-7-21-22(14-17)32-13-12-31-21/h2-7,14-15,19,25H,8-13H2,1H3,(H2,26,27,28,30)
InChIKeyODNQXPDPRYQVRN-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.61
Rot. Bonds5

About N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (PubChem CID 155534710) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
PubChem CID155534710
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCCO5)[nH]n3)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-29-10-8-19(9-11-29)25-18-5-2-16(3-6-18)24(30)26-23-15-20(27-28-23)17-4-7-21-22(14-17)32-13-12-31-21/h2-7,14-15,19,25H,8-13H2,1H3,(H2,26,27,28,30)
InChIKeyODNQXPDPRYQVRN-UHFFFAOYSA-N
XLogP3.61
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (CID 155534710) is N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCCO5)[nH]n3)cc2)CC1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The InChIKey is ODNQXPDPRYQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-29-10-8-19(9-11-29)25-18-5-2-16(3-6-18)24(30)26-23-15-20(27-28-23)17-4-7-21-22(14-17)32-13-12-31-21/h2-7,14-15,19,25H,8-13H2,1H3,(H2,26,27,28,30).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 155534710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).