3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

C23H28N6O3 — CID 164628369

IUPAC3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(=O)NCC[C@@H]2CNCCO2)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C23H28N6O3/c1-16(20-5-3-4-9-25-20)32-22-7-6-17(13-19(22)21-15-29(2)28-27-21)23(30)26-10-8-18-14-24-11-12-31-18/h3-7,9,13,15-16,18,24H,8,10-12,14H2,1-2H3,(H,26,30)/t16-,18+/m0/s1
InChIKeyWIXUVHPFMARONI-FUHWJXTLSA-N
MW436.52 g/mol
LogP2.13
Rot. Bonds8

About 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (PubChem CID 164628369) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.

Molecular Properties

Compound Name3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
PubChem CID164628369
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(=O)NCC[C@@H]2CNCCO2)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C23H28N6O3/c1-16(20-5-3-4-9-25-20)32-22-7-6-17(13-19(22)21-15-29(2)28-27-21)23(30)26-10-8-18-14-24-11-12-31-18/h3-7,9,13,15-16,18,24H,8,10-12,14H2,1-2H3,(H,26,30)/t16-,18+/m0/s1
InChIKeyWIXUVHPFMARONI-FUHWJXTLSA-N
XLogP2.13
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
N-[5-(5-amino-2-pyridinyl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 156019009
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-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)-5-fluoropicolinamide
CID 73437755
N-(5-((2S,5R,6S)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)-5-fluoropicolinamide
CID 73438135
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-5-fluoro-6-(2-fluoro-4-methoxyphenyl)picolinamide
CID 86713898
4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408174
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
CID 16188421
N-[(1-methylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790505

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The IUPAC name of 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (CID 164628369) is 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.
What is the SMILES notation for 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The canonical SMILES for 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is C[C@H](Oc1ccc(C(=O)NCC[C@@H]2CNCCO2)cc1-c1cn(C)nn1)c1ccccn1.
What is the InChIKey of 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The InChIKey is WIXUVHPFMARONI-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16(20-5-3-4-9-25-20)32-22-7-6-17(13-19(22)21-15-29(2)28-27-21)23(30)26-10-8-18-14-24-11-12-31-18/h3-7,9,13,15-16,18,24H,8,10-12,14H2,1-2H3,(H,26,30)/t16-,18+/m0/s1.
What are the key properties of 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide has a molecular weight of 436.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltriazol-4-yl)-N-[2-[(2R)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is sourced from PubChem (CID 164628369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).