N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide

C17H22N4O2 — CID 113025505

IUPACN-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCN(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O2/c1-21(2)11-10-18-14-6-9-16(19-12-14)20-17(22)13-4-7-15(23-3)8-5-13/h4-9,12,18H,10-11H2,1-3H3,(H,19,20,22)
InChIKeyVDXIEALNODDNQM-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.32
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide

N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide (PubChem CID 113025505) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
PubChem CID113025505
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCN(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O2/c1-21(2)11-10-18-14-6-9-16(19-12-14)20-17(22)13-4-7-15(23-3)8-5-13/h4-9,12,18H,10-11H2,1-3H3,(H,19,20,22)
InChIKeyVDXIEALNODDNQM-UHFFFAOYSA-N
XLogP2.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pyridine-3-carboxamide
CID 113025531
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032411
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide (CID 113025505) is N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(NCCN(C)C)cn2)cc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is VDXIEALNODDNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)11-10-18-14-6-9-16(19-12-14)20-17(22)13-4-7-15(23-3)8-5-13/h4-9,12,18H,10-11H2,1-3H3,(H,19,20,22).
What are the key properties of N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide?
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 314.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113025505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).