2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide

C21H27N5O2 — CID 170416750

IUPAC2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide
SMILESC/N=C(\C(=O)NC1CCN(C)CC1)c1cc(OCc2ccccn2)ccc1N
InChIInChI=1S/C21H27N5O2/c1-23-20(21(27)25-15-8-11-26(2)12-9-15)18-13-17(6-7-19(18)22)28-14-16-5-3-4-10-24-16/h3-7,10,13,15H,8-9,11-12,14,22H2,1-2H3,(H,25,27)/b23-20-
InChIKeyKFHPUFWMLGXCJK-ATJXCDBQSA-N
MW381.48 g/mol
LogP1.87
Rot. Bonds6

About 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide

2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 170416750) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID170416750
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide
SMILESC/N=C(\C(=O)NC1CCN(C)CC1)c1cc(OCc2ccccn2)ccc1N
InChIInChI=1S/C21H27N5O2/c1-23-20(21(27)25-15-8-11-26(2)12-9-15)18-13-17(6-7-19(18)22)28-14-16-5-3-4-10-24-16/h3-7,10,13,15H,8-9,11-12,14,22H2,1-2H3,(H,25,27)/b23-20-
InChIKeyKFHPUFWMLGXCJK-ATJXCDBQSA-N
XLogP1.87
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide
CID 170418557
2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide
CID 170416741
CID 170602603
CID 170602603
N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66863811
N-(1-methylpiperidin-4-yl)-4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 58095607
2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
CID 170602937
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine
CID 67208588
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide (CID 170416750) is 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide is C/N=C(\C(=O)NC1CCN(C)CC1)c1cc(OCc2ccccn2)ccc1N.
What is the InChIKey of 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is KFHPUFWMLGXCJK-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-23-20(21(27)25-15-8-11-26(2)12-9-15)18-13-17(6-7-19(18)22)28-14-16-5-3-4-10-24-16/h3-7,10,13,15H,8-9,11-12,14,22H2,1-2H3,(H,25,27)/b23-20-.
What are the key properties of 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide?
2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 170416750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).