1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide

C16H23N3O2 — CID 95231374

IUPAC1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)N[C@@H](C)c2ccncc2)CCCCC1
InChIInChI=1S/C16H23N3O2/c1-12(14-6-10-17-11-7-14)18-15(21)16(19-13(2)20)8-4-3-5-9-16/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyRCTHLQPXOZCDTL-LBPRGKRZSA-N
MW289.38 g/mol
LogP2.10
Rot. Bonds4

About 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide

1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide (PubChem CID 95231374) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
PubChem CID95231374
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)N[C@@H](C)c2ccncc2)CCCCC1
InChIInChI=1S/C16H23N3O2/c1-12(14-6-10-17-11-7-14)18-15(21)16(19-13(2)20)8-4-3-5-9-16/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyRCTHLQPXOZCDTL-LBPRGKRZSA-N
XLogP2.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
CID 95146297
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 55964151
2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
CID 81410580
2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409906
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581
1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 78844552
(5S,7R)-3-acetamido-N-[(1S)-1-pyridin-4-ylethyl]adamantane-1-carboxamide
CID 25361275
1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide
CID 47345116
methyl 4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]amino]ethyl]benzoate
CID 174186419
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 119070824

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide (CID 95231374) is 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)N[C@@H](C)c2ccncc2)CCCCC1.
What is the InChIKey of 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is RCTHLQPXOZCDTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(14-6-10-17-11-7-14)18-15(21)16(19-13(2)20)8-4-3-5-9-16/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1.
What are the key properties of 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide?
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 95231374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).