N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide

C19H21N5O2 — CID 164613009

IUPACN-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(OCc2cccc(C)n2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C19H21N5O2/c1-4-20-19(25)14-8-9-18(16(10-14)17-11-24(3)23-22-17)26-12-15-7-5-6-13(2)21-15/h5-11H,4,12H2,1-3H3,(H,20,25)
InChIKeyBHUOTMULUBCHII-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide

N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide (PubChem CID 164613009) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
PubChem CID164613009
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(OCc2cccc(C)n2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C19H21N5O2/c1-4-20-19(25)14-8-9-18(16(10-14)17-11-24(3)23-22-17)26-12-15-7-5-6-13(2)21-15/h5-11H,4,12H2,1-3H3,(H,20,25)
InChIKeyBHUOTMULUBCHII-UHFFFAOYSA-N
XLogP2.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-phenylethoxy]benzamide
CID 155818569
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
N1,N1-Dimethyl-4-[(phenylmethyl)oxy]-N3-3-pyridinyl-1,3-benzenedicarboxamide
CID 69936757
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
CID 70665234
N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70692760
Brd4-IN-8
CID 71616418
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437751
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437754
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73437807
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73438188

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide (CID 164613009) is N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide is CCNC(=O)c1ccc(OCc2cccc(C)n2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The InChIKey is BHUOTMULUBCHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-20-19(25)14-8-9-18(16(10-14)17-11-24(3)23-22-17)26-12-15-7-5-6-13(2)21-15/h5-11H,4,12H2,1-3H3,(H,20,25).
What are the key properties of N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 164613009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).