N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide

C16H21N5O2 — CID 95291986

IUPACN-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1CN[C@H]1CCc2ncnn2C1
InChIInChI=1S/C16H21N5O2/c1-17-16(22)10-23-14-5-3-2-4-12(14)8-18-13-6-7-15-19-11-20-21(15)9-13/h2-5,11,13,18H,6-10H2,1H3,(H,17,22)/t13-/m0/s1
InChIKeyQRMCVFLNZBZUDV-ZDUSSCGKSA-N
MW315.38 g/mol
LogP0.51
Rot. Bonds6

About N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide

N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide (PubChem CID 95291986) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide
PubChem CID95291986
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1CN[C@H]1CCc2ncnn2C1
InChIInChI=1S/C16H21N5O2/c1-17-16(22)10-23-14-5-3-2-4-12(14)8-18-13-6-7-15-19-11-20-21(15)9-13/h2-5,11,13,18H,6-10H2,1H3,(H,17,22)/t13-/m0/s1
InChIKeyQRMCVFLNZBZUDV-ZDUSSCGKSA-N
XLogP0.51
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

(6S)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291185
2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
CID 126767732
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
(6R)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291895
N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780041
(6S)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291896
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
(6S)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95322037
N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 43277404

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide (CID 95291986) is N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide is CNC(=O)COc1ccccc1CN[C@H]1CCc2ncnn2C1.
What is the InChIKey of N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide?
The InChIKey is QRMCVFLNZBZUDV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-17-16(22)10-23-14-5-3-2-4-12(14)8-18-13-6-7-15-19-11-20-21(15)9-13/h2-5,11,13,18H,6-10H2,1H3,(H,17,22)/t13-/m0/s1.
What are the key properties of N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide?
N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide has a molecular weight of 315.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 95291986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).