2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide

C16H25N3O — CID 104678520

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CC1(CN)CCCCC1)c1cccnc1
InChIInChI=1S/C16H25N3O/c1-13(14-6-5-9-18-11-14)19-15(20)10-16(12-17)7-3-2-4-8-16/h5-6,9,11,13H,2-4,7-8,10,12,17H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeySIMDKZNEMZXOBA-CYBMUJFWSA-N
MW275.40 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide (PubChem CID 104678520) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
PubChem CID104678520
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CC1(CN)CCCCC1)c1cccnc1
InChIInChI=1S/C16H25N3O/c1-13(14-6-5-9-18-11-14)19-15(20)10-16(12-17)7-3-2-4-8-16/h5-6,9,11,13H,2-4,7-8,10,12,17H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeySIMDKZNEMZXOBA-CYBMUJFWSA-N
XLogP2.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]cyclopentyl]acetic acid
CID 81392956
2-(1-aminocyclohexyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404106
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81405144
1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 115453576
2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 81349203
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862841
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide (CID 104678520) is 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide is C[C@@H](NC(=O)CC1(CN)CCCCC1)c1cccnc1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The InChIKey is SIMDKZNEMZXOBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(14-6-5-9-18-11-14)19-15(20)10-16(12-17)7-3-2-4-8-16/h5-6,9,11,13H,2-4,7-8,10,12,17H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 104678520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).