CID 156831484

C24H28BN5O5 — CID 156831484

IUPAC—
SMILES[B]c1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1Oc1ccccc1C(=O)NCCN(C)C
InChIInChI=1S/C24H28BN5O5/c1-30(2)11-10-26-22(31)16-8-6-7-9-18(16)35-23-17(25)14-27-24(29-23)28-15-12-19(32-3)21(34-5)20(13-15)33-4/h6-9,12-14H,10-11H2,1-5H3,(H,26,31)(H,27,28,29)
InChIKeyYDNVUGQXJLDDBE-UHFFFAOYSA-N
MW477.33 g/mol
LogP2.12
Rot. Bonds11

About CID 156831484

CID 156831484 (PubChem CID 156831484) has the molecular formula C24H28BN5O5 and a molecular weight of 477.33 g/mol.

Molecular Properties

Compound NameCID 156831484
PubChem CID156831484
Molecular FormulaC24H28BN5O5
Molecular Weight477.33 g/mol
Exact Mass477.22
IUPAC Name—
SMILES[B]c1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1Oc1ccccc1C(=O)NCCN(C)C
InChIInChI=1S/C24H28BN5O5/c1-30(2)11-10-26-22(31)16-8-6-7-9-18(16)35-23-17(25)14-27-24(29-23)28-15-12-19(32-3)21(34-5)20(13-15)33-4/h6-9,12-14H,10-11H2,1-5H3,(H,26,31)(H,27,28,29)
InChIKeyYDNVUGQXJLDDBE-UHFFFAOYSA-N
XLogP2.12
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
2-[3-[2-(dimethylamino)ethylcarbamoyl]anilino]-N-(2,6-dimethylphenyl)-4-(2-methoxy-4-propylphenoxy)pyrimidine-5-carboxamide
CID 69069229
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530
N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59662251
2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
CID 161162543
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 3593898
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]-5-methoxyacridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 90811123
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132

Frequently Asked Questions

What is the IUPAC name of CID 156831484?
The IUPAC name of CID 156831484 (CID 156831484) is not available.
What is the SMILES notation for CID 156831484?
The canonical SMILES for CID 156831484 is [B]c1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1Oc1ccccc1C(=O)NCCN(C)C.
What is the InChIKey of CID 156831484?
The InChIKey is YDNVUGQXJLDDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BN5O5/c1-30(2)11-10-26-22(31)16-8-6-7-9-18(16)35-23-17(25)14-27-24(29-23)28-15-12-19(32-3)21(34-5)20(13-15)33-4/h6-9,12-14H,10-11H2,1-5H3,(H,26,31)(H,27,28,29).
What are the key properties of CID 156831484?
CID 156831484 has a molecular weight of 477.33 g/mol, XLogP of 2.12, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156831484 is sourced from PubChem (CID 156831484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).