3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide

C24H23N3O2 — CID 10786335

IUPAC3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1C#CCN(C)C
InChIInChI=1S/C24H23N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyHGLUOJRKGJMSNM-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.92
Rot. Bonds5

About 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide

3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide (PubChem CID 10786335) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
PubChem CID10786335
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1C#CCN(C)C
InChIInChI=1S/C24H23N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyHGLUOJRKGJMSNM-UHFFFAOYSA-N
XLogP3.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Picotamide
CID 4814
Picotamide monohydrate
CID 6419975
GR-55562
CID 128018
2-Methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
CID 139582022
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
Ave-0118
CID 9811357
2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
Wwl70
CID 17759121
ROCK inhibitor-2
CID 51003130
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
3-Carbamyl-(3'-picolyl)-4-methoxy-1-benzamide
CID 130587

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide?
The IUPAC name of 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide (CID 10786335) is 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1C#CCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide?
The InChIKey is HGLUOJRKGJMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,16H2,1-3H3,(H,26,28).
What are the key properties of 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide?
3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide is sourced from PubChem (CID 10786335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).