2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride

C16H20ClN3O2 — CID 120620251

IUPAC2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1cccc(C(C)NC(=O)Cc2ccc(N)cn2)c1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-11(12-4-3-5-15(8-12)21-2)19-16(20)9-14-7-6-13(17)10-18-14;/h3-8,10-11H,9,17H2,1-2H3,(H,19,20);1H
InChIKeyFSTSHMAEKSICCT-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.51
Rot. Bonds5

About 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride

2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 120620251) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID120620251
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1cccc(C(C)NC(=O)Cc2ccc(N)cn2)c1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-11(12-4-3-5-15(8-12)21-2)19-16(20)9-14-7-6-13(17)10-18-14;/h3-8,10-11H,9,17H2,1-2H3,(H,19,20);1H
InChIKeyFSTSHMAEKSICCT-UHFFFAOYSA-N
XLogP2.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 120622083
2-(5-amino-2-pyridinyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 107339328
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 120617873
2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 107337738
2-(5-amino-2-pyridinyl)-N-[1-(4-tert-butylphenyl)ethyl]acetamide
CID 120621513
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
2-(5-amino-2-pyridinyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 107338393
methyl 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]butanoate
CID 120618929

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride (CID 120620251) is 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride is COc1cccc(C(C)NC(=O)Cc2ccc(N)cn2)c1.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is FSTSHMAEKSICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-11(12-4-3-5-15(8-12)21-2)19-16(20)9-14-7-6-13(17)10-18-14;/h3-8,10-11H,9,17H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120620251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).