CID 156839592

C18H19N2O2Pb — CID 156839592

IUPAC—
SMILESO=CNc1cccc(C(=O)c2ccccc2)c1.[Pb]C1CCNC1
InChIInChI=1S/C14H11NO2.C4H8N.Pb/c16-10-15-13-8-4-7-12(9-13)14(17)11-5-2-1-3-6-11;1-2-4-5-3-1;/h1-10H,(H,15,16);1,5H,2-4H2;
InChIKeyPDXRZVMLVUCGSS-UHFFFAOYSA-N
MW502.56 g/mol
LogP2.42
Rot. Bonds4

About CID 156839592

CID 156839592 (PubChem CID 156839592) has the molecular formula C18H19N2O2Pb and a molecular weight of 502.56 g/mol.

Molecular Properties

Compound NameCID 156839592
PubChem CID156839592
Molecular FormulaC18H19N2O2Pb
Molecular Weight502.56 g/mol
Exact Mass503.12
IUPAC Name—
SMILESO=CNc1cccc(C(=O)c2ccccc2)c1.[Pb]C1CCNC1
InChIInChI=1S/C14H11NO2.C4H8N.Pb/c16-10-15-13-8-4-7-12(9-13)14(17)11-5-2-1-3-6-11;1-2-4-5-3-1;/h1-10H,(H,15,16);1,5H,2-4H2;
InChIKeyPDXRZVMLVUCGSS-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.56
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-formamidophenyl)cyclopropanecarboxamide
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[4-amino-3-[[(3S)-pyrrolidin-3-yl]methylamino]phenyl]-phenylmethanone
CID 66552957
N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine
CID 156839471
3-(piperidin-4-ylmethylamino)benzoic acid
CID 79707352
(E)-4-(3-benzoylanilino)pent-3-en-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 156839592?
The IUPAC name of CID 156839592 (CID 156839592) is not available.
What is the SMILES notation for CID 156839592?
The canonical SMILES for CID 156839592 is O=CNc1cccc(C(=O)c2ccccc2)c1.[Pb]C1CCNC1.
What is the InChIKey of CID 156839592?
The InChIKey is PDXRZVMLVUCGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2.C4H8N.Pb/c16-10-15-13-8-4-7-12(9-13)14(17)11-5-2-1-3-6-11;1-2-4-5-3-1;/h1-10H,(H,15,16);1,5H,2-4H2;.
What are the key properties of CID 156839592?
CID 156839592 has a molecular weight of 502.56 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156839592 is sourced from PubChem (CID 156839592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).