CID 58148335

C22H27N3O — CID 58148335

IUPAC—
SMILES[CH]c1cc(C(=O)Nc2cc(C)cc(CN3CCN(C)CC3)c2)ccc1C
InChIInChI=1S/C22H27N3O/c1-16-11-19(15-25-9-7-24(4)8-10-25)14-21(12-16)23-22(26)20-6-5-17(2)18(3)13-20/h3,5-6,11-14H,7-10,15H2,1-2,4H3,(H,23,26)
InChIKeyMQJADIYIBSWHCC-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.36
Rot. Bonds4

About CID 58148335

CID 58148335 (PubChem CID 58148335) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol.

Molecular Properties

Compound NameCID 58148335
PubChem CID58148335
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name—
SMILES[CH]c1cc(C(=O)Nc2cc(C)cc(CN3CCN(C)CC3)c2)ccc1C
InChIInChI=1S/C22H27N3O/c1-16-11-19(15-25-9-7-24(4)8-10-25)14-21(12-16)23-22(26)20-6-5-17(2)18(3)13-20/h3,5-6,11-14H,7-10,15H2,1-2,4H3,(H,23,26)
InChIKeyMQJADIYIBSWHCC-UHFFFAOYSA-N
XLogP3.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 58148317
CID 58148317
3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 70790693
4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide
CID 148792807
N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 87562064
N-(3-iodo-4-methylphenyl)-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 129061283
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005
N-[3-[[amino-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]methylidene]amino]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 170907756
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzamide
CID 66552788
3-(aminomethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 167436048
N-[3-(aminomethyl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 141408826

Frequently Asked Questions

What is the IUPAC name of CID 58148335?
The IUPAC name of CID 58148335 (CID 58148335) is not available.
What is the SMILES notation for CID 58148335?
The canonical SMILES for CID 58148335 is [CH]c1cc(C(=O)Nc2cc(C)cc(CN3CCN(C)CC3)c2)ccc1C.
What is the InChIKey of CID 58148335?
The InChIKey is MQJADIYIBSWHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-11-19(15-25-9-7-24(4)8-10-25)14-21(12-16)23-22(26)20-6-5-17(2)18(3)13-20/h3,5-6,11-14H,7-10,15H2,1-2,4H3,(H,23,26).
What are the key properties of CID 58148335?
CID 58148335 has a molecular weight of 349.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58148335 is sourced from PubChem (CID 58148335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).