N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide

C22H21N3O2 — CID 55692804

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H21N3O2/c1-25(2)21-15(8-7-13-23-21)14-24-22(26)20-16-9-3-5-11-18(16)27-19-12-6-4-10-17(19)20/h3-13,20H,14H2,1-2H3,(H,24,26)
InChIKeyWJIRMGKTMKWEIB-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.70
Rot. Bonds4

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide (PubChem CID 55692804) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide
PubChem CID55692804
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H21N3O2/c1-25(2)21-15(8-7-13-23-21)14-24-22(26)20-16-9-3-5-11-18(16)27-19-12-6-4-10-17(19)20/h3-13,20H,14H2,1-2H3,(H,24,26)
InChIKeyWJIRMGKTMKWEIB-UHFFFAOYSA-N
XLogP3.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide (CID 55692804) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide is CN(C)c1ncccc1CNC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide?
The InChIKey is WJIRMGKTMKWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-25(2)21-15(8-7-13-23-21)14-24-22(26)20-16-9-3-5-11-18(16)27-19-12-6-4-10-17(19)20/h3-13,20H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 55692804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).