2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide

C29H35N5O2 — CID 121438995

IUPAC2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide
SMILESCC(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C(C)(C)N)cc3)nn2)CC1
InChIInChI=1S/C29H35N5O2/c1-19(35)31-24-15-9-20(10-16-24)17-27(36)32-26-18-25(21-7-5-4-6-8-21)28(34-33-26)22-11-13-23(14-12-22)29(2,3)30/h4-8,11-14,18,20,24H,9-10,15-17,30H2,1-3H3,(H,31,35)(H,32,33,36)
InChIKeyZJRKGHIHKBNXTB-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.03
Rot. Bonds7

About 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide

2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide (PubChem CID 121438995) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide
PubChem CID121438995
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide
SMILESCC(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C(C)(C)N)cc3)nn2)CC1
InChIInChI=1S/C29H35N5O2/c1-19(35)31-24-15-9-20(10-16-24)17-27(36)32-26-18-25(21-7-5-4-6-8-21)28(34-33-26)22-11-13-23(14-12-22)29(2,3)30/h4-8,11-14,18,20,24H,9-10,15-17,30H2,1-3H3,(H,31,35)(H,32,33,36)
InChIKeyZJRKGHIHKBNXTB-UHFFFAOYSA-N
XLogP5.03
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide (CID 121438995) is 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide is CC(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C(C)(C)N)cc3)nn2)CC1.
What is the InChIKey of 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide?
The InChIKey is ZJRKGHIHKBNXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-19(35)31-24-15-9-20(10-16-24)17-27(36)32-26-18-25(21-7-5-4-6-8-21)28(34-33-26)22-11-13-23(14-12-22)29(2,3)30/h4-8,11-14,18,20,24H,9-10,15-17,30H2,1-3H3,(H,31,35)(H,32,33,36).
What are the key properties of 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide?
2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide has a molecular weight of 485.63 g/mol, XLogP of 5.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidocyclohexyl)-N-[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]acetamide is sourced from PubChem (CID 121438995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).