N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide

C18H24N4O2 — CID 118764069

IUPACN'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide
SMILESCc1ccc2n[nH]c(CNC(=O)CCC(=O)NC3CCCC3)c2c1
InChIInChI=1S/C18H24N4O2/c1-12-6-7-15-14(10-12)16(22-21-15)11-19-17(23)8-9-18(24)20-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyWGEZOGPZTDCCMX-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.33
Rot. Bonds6

About N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide

N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide (PubChem CID 118764069) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide
PubChem CID118764069
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide
SMILESCc1ccc2n[nH]c(CNC(=O)CCC(=O)NC3CCCC3)c2c1
InChIInChI=1S/C18H24N4O2/c1-12-6-7-15-14(10-12)16(22-21-15)11-19-17(23)8-9-18(24)20-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyWGEZOGPZTDCCMX-UHFFFAOYSA-N
XLogP2.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide?
The IUPAC name of N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide (CID 118764069) is N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide.
What is the SMILES notation for N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide?
The canonical SMILES for N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide is Cc1ccc2n[nH]c(CNC(=O)CCC(=O)NC3CCCC3)c2c1.
What is the InChIKey of N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide?
The InChIKey is WGEZOGPZTDCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-6-7-15-14(10-12)16(22-21-15)11-19-17(23)8-9-18(24)20-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide?
N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide has a molecular weight of 328.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide is sourced from PubChem (CID 118764069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).