2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide

C16H25N3O — CID 81409906

IUPAC2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESCNC1(CC(=O)N[C@H](C)c2ccncc2)CCCCC1
InChIInChI=1S/C16H25N3O/c1-13(14-6-10-18-11-7-14)19-15(20)12-16(17-2)8-4-3-5-9-16/h6-7,10-11,13,17H,3-5,8-9,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyMQTDCOYMNFZIOQ-CYBMUJFWSA-N
MW275.40 g/mol
LogP2.57
Rot. Bonds5

About 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide

2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide (PubChem CID 81409906) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
PubChem CID81409906
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESCNC1(CC(=O)N[C@H](C)c2ccncc2)CCCCC1
InChIInChI=1S/C16H25N3O/c1-13(14-6-10-18-11-7-14)19-15(20)12-16(17-2)8-4-3-5-9-16/h6-7,10-11,13,17H,3-5,8-9,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyMQTDCOYMNFZIOQ-CYBMUJFWSA-N
XLogP2.57
TPSA54.02 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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
CID 65242049
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
2-(1-aminocyclohexyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404106
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
1-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60934441
2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 95282016

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide (CID 81409906) is 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide is CNC1(CC(=O)N[C@H](C)c2ccncc2)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is MQTDCOYMNFZIOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(14-6-10-18-11-7-14)19-15(20)12-16(17-2)8-4-3-5-9-16/h6-7,10-11,13,17H,3-5,8-9,12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 81409906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).