N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide

C20H22N4O — CID 71913375

IUPACN-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(NCc2cccc3cn[nH]c23)cc1)C1CC1
InChIInChI=1S/C20H22N4O/c1-14(25)24(19-9-10-19)13-15-5-7-18(8-6-15)21-11-16-3-2-4-17-12-22-23-20(16)17/h2-8,12,19,21H,9-11,13H2,1H3,(H,22,23)
InChIKeyJRCSKSWJUDRZKK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.69
Rot. Bonds6

About N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide

N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide (PubChem CID 71913375) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide
PubChem CID71913375
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(NCc2cccc3cn[nH]c23)cc1)C1CC1
InChIInChI=1S/C20H22N4O/c1-14(25)24(19-9-10-19)13-15-5-7-18(8-6-15)21-11-16-3-2-4-17-12-22-23-20(16)17/h2-8,12,19,21H,9-11,13H2,1H3,(H,22,23)
InChIKeyJRCSKSWJUDRZKK-UHFFFAOYSA-N
XLogP3.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide (CID 71913375) is N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide is CC(=O)N(Cc1ccc(NCc2cccc3cn[nH]c23)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide?
The InChIKey is JRCSKSWJUDRZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(25)24(19-9-10-19)13-15-5-7-18(8-6-15)21-11-16-3-2-4-17-12-22-23-20(16)17/h2-8,12,19,21H,9-11,13H2,1H3,(H,22,23).
What are the key properties of N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide?
N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 71913375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).