3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane

C19H28N4O2 — CID 158757538

IUPAC3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane
SMILESC.Cc1cc(CN)cc(Oc2cccc(C(=O)NCCN(C)C)c2)n1
InChIInChI=1S/C18H24N4O2.CH4/c1-13-9-14(12-19)10-17(21-13)24-16-6-4-5-15(11-16)18(23)20-7-8-22(2)3;/h4-6,9-11H,7-8,12,19H2,1-3H3,(H,20,23);1H4
InChIKeyIOGHYJLBFPKPEZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.57
Rot. Bonds7

About 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane

3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane (PubChem CID 158757538) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane
PubChem CID158757538
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane
SMILESC.Cc1cc(CN)cc(Oc2cccc(C(=O)NCCN(C)C)c2)n1
InChIInChI=1S/C18H24N4O2.CH4/c1-13-9-14(12-19)10-17(21-13)24-16-6-4-5-15(11-16)18(23)20-7-8-22(2)3;/h4-6,9-11H,7-8,12,19H2,1-3H3,(H,20,23);1H4
InChIKeyIOGHYJLBFPKPEZ-UHFFFAOYSA-N
XLogP2.57
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-hex-5-ynylbenzamide;2,2,2-trifluoroacetic acid
CID 159600487
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 122516140
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-hydroxybenzamide
CID 122516842
4-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]benzamide
CID 114765241
N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
CID 2972123
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107397
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
N-[2-(dimethylamino)ethyl]-3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzamide
CID 133469974
2-[4-(aminomethyl)phenoxy]-6-methylpyridine-4-carboxamide
CID 106485641
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride
CID 135186057

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane?
The IUPAC name of 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane (CID 158757538) is 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane.
What is the SMILES notation for 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane?
The canonical SMILES for 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane is C.Cc1cc(CN)cc(Oc2cccc(C(=O)NCCN(C)C)c2)n1.
What is the InChIKey of 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane?
The InChIKey is IOGHYJLBFPKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.CH4/c1-13-9-14(12-19)10-17(21-13)24-16-6-4-5-15(11-16)18(23)20-7-8-22(2)3;/h4-6,9-11H,7-8,12,19H2,1-3H3,(H,20,23);1H4.
What are the key properties of 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane?
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane has a molecular weight of 344.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane is sourced from PubChem (CID 158757538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).