3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide

C21H25N3O4 — CID 18207509

IUPAC3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H25N3O4/c1-4-5-15-12-16(13-18(26-2)20(15)27-3)21(25)23-19-7-6-17(14-22-19)24-8-10-28-11-9-24/h4,6-7,12-14H,1,5,8-11H2,2-3H3,(H,22,23,25)
InChIKeyVQRHDGBQTSFUQX-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.92
Rot. Bonds7

About 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide

3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide (PubChem CID 18207509) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide
PubChem CID18207509
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H25N3O4/c1-4-5-15-12-16(13-18(26-2)20(15)27-3)21(25)23-19-7-6-17(14-22-19)24-8-10-28-11-9-24/h4,6-7,12-14H,1,5,8-11H2,2-3H3,(H,22,23,25)
InChIKeyVQRHDGBQTSFUQX-UHFFFAOYSA-N
XLogP2.92
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 42315505
4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-(5-morpholin-4-yl-2-pyridinyl)benzene-1,3-dicarboxamide
CID 171463805
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362463
3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide
CID 18166790
1-[4-[4-(3,4-dimethoxy-5-prop-2-enylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 27009194
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27009589
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide (CID 18207509) is 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide?
The InChIKey is VQRHDGBQTSFUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-5-15-12-16(13-18(26-2)20(15)27-3)21(25)23-19-7-6-17(14-22-19)24-8-10-28-11-9-24/h4,6-7,12-14H,1,5,8-11H2,2-3H3,(H,22,23,25).
What are the key properties of 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 18207509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).