3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide

C17H24N4O3 — CID 120828179

IUPAC3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide
SMILESCNC(C)CNC(=O)c1ccc(OCc2cnn(C)c2)c(OC)c1
InChIInChI=1S/C17H24N4O3/c1-12(18-2)8-19-17(22)14-5-6-15(16(7-14)23-4)24-11-13-9-20-21(3)10-13/h5-7,9-10,12,18H,8,11H2,1-4H3,(H,19,22)
InChIKeyNQXMSBVVYAINLT-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.35
Rot. Bonds8

About 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide

3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide (PubChem CID 120828179) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide
PubChem CID120828179
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide
SMILESCNC(C)CNC(=O)c1ccc(OCc2cnn(C)c2)c(OC)c1
InChIInChI=1S/C17H24N4O3/c1-12(18-2)8-19-17(22)14-5-6-15(16(7-14)23-4)24-11-13-9-20-21(3)10-13/h5-7,9-10,12,18H,8,11H2,1-4H3,(H,19,22)
InChIKeyNQXMSBVVYAINLT-UHFFFAOYSA-N
XLogP1.35
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-(methylamino)propyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120829798
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
1-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881865
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119108564
[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone
CID 127264738
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
3,5-dimethoxy-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829740
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616453
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide?
The IUPAC name of 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide (CID 120828179) is 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide is CNC(C)CNC(=O)c1ccc(OCc2cnn(C)c2)c(OC)c1.
What is the InChIKey of 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide?
The InChIKey is NQXMSBVVYAINLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(18-2)8-19-17(22)14-5-6-15(16(7-14)23-4)24-11-13-9-20-21(3)10-13/h5-7,9-10,12,18H,8,11H2,1-4H3,(H,19,22).
What are the key properties of 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide?
3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide has a molecular weight of 332.40 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 120828179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).