N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide

C14H20N2O2 — CID 104957512

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H20N2O2/c17-13-4-2-1-3-12(13)16-14(18)6-5-11-7-9-15-10-8-11/h7-10,12-13,17H,1-6H2,(H,16,18)/t12-,13-/m0/s1
InChIKeyVWFCKJYPMODSFI-STQMWFEESA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds4

About N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide

N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide (PubChem CID 104957512) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
PubChem CID104957512
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H20N2O2/c17-13-4-2-1-3-12(13)16-14(18)6-5-11-7-9-15-10-8-11/h7-10,12-13,17H,1-6H2,(H,16,18)/t12-,13-/m0/s1
InChIKeyVWFCKJYPMODSFI-STQMWFEESA-N
XLogP1.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3-pyridin-4-ylpropanamide
CID 113265421
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
CID 110125855
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956680
N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide
CID 114289940
N-(2-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetamide
CID 62361084
N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
CID 114301183
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide (CID 104957512) is N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide?
The InChIKey is VWFCKJYPMODSFI-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13-4-2-1-3-12(13)16-14(18)6-5-11-7-9-15-10-8-11/h7-10,12-13,17H,1-6H2,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 104957512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).