N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide

C20H20N4O2 — CID 99718242

IUPACN-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2N(C)C)cc1-c1ccccn1
InChIInChI=1S/C20H20N4O2/c1-24(2)19-17(8-6-12-22-19)23-20(25)14-9-10-18(26-3)15(13-14)16-7-4-5-11-21-16/h4-13H,1-3H3,(H,23,25)
InChIKeyWSWOXKYKFITZJX-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide

N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide (PubChem CID 99718242) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide
PubChem CID99718242
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2N(C)C)cc1-c1ccccn1
InChIInChI=1S/C20H20N4O2/c1-24(2)19-17(8-6-12-22-19)23-20(25)14-9-10-18(26-3)15(13-14)16-7-4-5-11-21-16/h4-13H,1-3H3,(H,23,25)
InChIKeyWSWOXKYKFITZJX-UHFFFAOYSA-N
XLogP3.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide (CID 99718242) is N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide is COc1ccc(C(=O)Nc2cccnc2N(C)C)cc1-c1ccccn1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide?
The InChIKey is WSWOXKYKFITZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(2)19-17(8-6-12-22-19)23-20(25)14-9-10-18(26-3)15(13-14)16-7-4-5-11-21-16/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide?
N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide has a molecular weight of 348.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-4-methoxy-3-pyridin-2-ylbenzamide is sourced from PubChem (CID 99718242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).