4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide

C19H23FN4O2 — CID 136532888

IUPAC4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1F
InChIInChI=1S/C19H23FN4O2/c1-23(2)17-7-6-14(12-16(17)20)19(25)21-13-15-4-3-5-18(22-15)24-8-10-26-11-9-24/h3-7,12H,8-11,13H2,1-2H3,(H,21,25)
InChIKeyQSBDHVUOOUCFGU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.05
Rot. Bonds5

About 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide

4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide (PubChem CID 136532888) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
PubChem CID136532888
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1F
InChIInChI=1S/C19H23FN4O2/c1-23(2)17-7-6-14(12-16(17)20)19(25)21-13-15-4-3-5-18(22-15)24-8-10-26-11-9-24/h3-7,12H,8-11,13H2,1-2H3,(H,21,25)
InChIKeyQSBDHVUOOUCFGU-UHFFFAOYSA-N
XLogP2.05
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide (CID 136532888) is 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide is CN(C)c1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1F.
What is the InChIKey of 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide?
The InChIKey is QSBDHVUOOUCFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23(2)17-7-6-14(12-16(17)20)19(25)21-13-15-4-3-5-18(22-15)24-8-10-26-11-9-24/h3-7,12H,8-11,13H2,1-2H3,(H,21,25).
What are the key properties of 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide?
4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide has a molecular weight of 358.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 136532888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).