CID 89272283

C22H29BN4O — CID 89272283

IUPAC—
SMILES[B]c1cnc(NC(=O)C(C)(C)CC)cc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29BN4O/c1-4-22(2,3)21(28)25-20-14-17(19(23)15-24-20)16-26-10-12-27(13-11-26)18-8-6-5-7-9-18/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,24,25,28)
InChIKeyGWRHHRKUEFNRCW-UHFFFAOYSA-N
MW376.31 g/mol
LogP2.57
Rot. Bonds6

About CID 89272283

CID 89272283 (PubChem CID 89272283) has the molecular formula C22H29BN4O and a molecular weight of 376.31 g/mol.

Molecular Properties

Compound NameCID 89272283
PubChem CID89272283
Molecular FormulaC22H29BN4O
Molecular Weight376.31 g/mol
Exact Mass376.24
IUPAC Name—
SMILES[B]c1cnc(NC(=O)C(C)(C)CC)cc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29BN4O/c1-4-22(2,3)21(28)25-20-14-17(19(23)15-24-20)16-26-10-12-27(13-11-26)18-8-6-5-7-9-18/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,24,25,28)
InChIKeyGWRHHRKUEFNRCW-UHFFFAOYSA-N
XLogP2.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 69165358
2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 4316622
2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 79627852
1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 116518761
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 21274449
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
CID 109193366
1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113028774
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 162643286
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206

Frequently Asked Questions

What is the IUPAC name of CID 89272283?
The IUPAC name of CID 89272283 (CID 89272283) is not available.
What is the SMILES notation for CID 89272283?
The canonical SMILES for CID 89272283 is [B]c1cnc(NC(=O)C(C)(C)CC)cc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of CID 89272283?
The InChIKey is GWRHHRKUEFNRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BN4O/c1-4-22(2,3)21(28)25-20-14-17(19(23)15-24-20)16-26-10-12-27(13-11-26)18-8-6-5-7-9-18/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,24,25,28).
What are the key properties of CID 89272283?
CID 89272283 has a molecular weight of 376.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89272283 is sourced from PubChem (CID 89272283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).