2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide

C23H27N5O — CID 129074862

IUPAC2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2cc(-c3ccc4ccccc4c3)cnn2)CC1
InChIInChI=1S/C23H27N5O/c1-17(2)25-23(29)16-27-9-11-28(12-10-27)22-14-21(15-24-26-22)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,25,29)
InChIKeyUIGVXCYCMASPBZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 129074862) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID129074862
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2cc(-c3ccc4ccccc4c3)cnn2)CC1
InChIInChI=1S/C23H27N5O/c1-17(2)25-23(29)16-27-9-11-28(12-10-27)22-14-21(15-24-26-22)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,25,29)
InChIKeyUIGVXCYCMASPBZ-UHFFFAOYSA-N
XLogP2.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 78797905
2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
CID 129074866
2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
CID 129075167
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one
CID 159892102
2-[4-[5-(3,4-dihydro-2H-chromen-5-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 126567210
2-[4-[6-(6-cyano-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 129075202
N-(1-naphthalen-2-ylethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 46801213
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 129075200

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 129074862) is 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(c2cc(-c3ccc4ccccc4c3)cnn2)CC1.
What is the InChIKey of 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is UIGVXCYCMASPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17(2)25-23(29)16-27-9-11-28(12-10-27)22-14-21(15-24-26-22)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 389.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 129074862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).