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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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).