3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide

C19H22N6O — CID 50971333

IUPAC3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCCN(Cc1ccncc1)Cc1cccc(C(=O)Nc2ncn(C)n2)c1
InChIInChI=1S/C19H22N6O/c1-3-25(12-15-7-9-20-10-8-15)13-16-5-4-6-17(11-16)18(26)22-19-21-14-24(2)23-19/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,26)
InChIKeyUIPJRPHYVHOVMT-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.48
Rot. Bonds7

About 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide

3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 50971333) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID50971333
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCCN(Cc1ccncc1)Cc1cccc(C(=O)Nc2ncn(C)n2)c1
InChIInChI=1S/C19H22N6O/c1-3-25(12-15-7-9-20-10-8-15)13-16-5-4-6-17(11-16)18(26)22-19-21-14-24(2)23-19/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,26)
InChIKeyUIPJRPHYVHOVMT-UHFFFAOYSA-N
XLogP2.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide
CID 81257020
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
CID 47059686
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide
CID 50973491
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 50971333) is 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide is CCN(Cc1ccncc1)Cc1cccc(C(=O)Nc2ncn(C)n2)c1.
What is the InChIKey of 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is UIPJRPHYVHOVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-25(12-15-7-9-20-10-8-15)13-16-5-4-6-17(11-16)18(26)22-19-21-14-24(2)23-19/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,26).
What are the key properties of 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide?
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 350.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 50971333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).