N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide

C24H22N4O — CID 143298031

IUPACN-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
SMILESC=CCCn1cc(-c2cccc(NC(=O)c3ccccc3)c2)c2c(C)ncnc21
InChIInChI=1S/C24H22N4O/c1-3-4-13-28-15-21(22-17(2)25-16-26-23(22)28)19-11-8-12-20(14-19)27-24(29)18-9-6-5-7-10-18/h3,5-12,14-16H,1,4,13H2,2H3,(H,27,29)
InChIKeyIESSNYOULKEMEL-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.24
Rot. Bonds6

About N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide

N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide (PubChem CID 143298031) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
PubChem CID143298031
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
SMILESC=CCCn1cc(-c2cccc(NC(=O)c3ccccc3)c2)c2c(C)ncnc21
InChIInChI=1S/C24H22N4O/c1-3-4-13-28-15-21(22-17(2)25-16-26-23(22)28)19-11-8-12-20(14-19)27-24(29)18-9-6-5-7-10-18/h3,5-12,14-16H,1,4,13H2,2H3,(H,27,29)
InChIKeyIESSNYOULKEMEL-UHFFFAOYSA-N
XLogP5.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(7-but-3-enyl-4-chloropyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
CID 58001849
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735763
N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide
CID 138555560
N-[3-[4-methyl-5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
CID 3910498
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide
CID 71886124
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide
CID 24936706
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-[3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
CID 167980507
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide?
The IUPAC name of N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide (CID 143298031) is N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide is C=CCCn1cc(-c2cccc(NC(=O)c3ccccc3)c2)c2c(C)ncnc21.
What is the InChIKey of N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide?
The InChIKey is IESSNYOULKEMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-3-4-13-28-15-21(22-17(2)25-16-26-23(22)28)19-11-8-12-20(14-19)27-24(29)18-9-6-5-7-10-18/h3,5-12,14-16H,1,4,13H2,2H3,(H,27,29).
What are the key properties of N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide?
N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide has a molecular weight of 382.47 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-but-3-enyl-4-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide is sourced from PubChem (CID 143298031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).