N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide

C21H31FN2O4 — CID 151266250

IUPACN-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(OCc2ccc(OCC3CC3)nc2F)CC1
InChIInChI=1S/C21H31FN2O4/c1-14(23-15(2)25)11-26-18-6-8-19(9-7-18)27-13-17-5-10-20(24-21(17)22)28-12-16-3-4-16/h5,10,14,16,18-19H,3-4,6-9,11-13H2,1-2H3,(H,23,25)/t14-,18?,19?/m0/s1
InChIKeyNVKGDKIUDMTMCG-YCMKEVRSSA-N
MW394.49 g/mol
LogP3.38
Rot. Bonds10

About N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 151266250) has the molecular formula C21H31FN2O4 and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID151266250
Molecular FormulaC21H31FN2O4
Molecular Weight394.49 g/mol
Exact Mass394.23
IUPAC NameN-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(OCc2ccc(OCC3CC3)nc2F)CC1
InChIInChI=1S/C21H31FN2O4/c1-14(23-15(2)25)11-26-18-6-8-19(9-7-18)27-13-17-5-10-20(24-21(17)22)28-12-16-3-4-16/h5,10,14,16,18-19H,3-4,6-9,11-13H2,1-2H3,(H,23,25)/t14-,18?,19?/m0/s1
InChIKeyNVKGDKIUDMTMCG-YCMKEVRSSA-N
XLogP3.38
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[3-[[2-[(2S)-2-fluoropropoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122498086
N-[(2S)-1-[3-[[2-(dimethylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497754
N-[(2S)-1-[3-[[3-chloro-4-(2-methoxyethoxy)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497759
N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide
CID 122497710
N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 134357670
N-[(2S)-1-[4-[6-(3,3-difluorocyclobutyl)oxy-4,7-difluoro-1-methylbenzimidazol-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497878
N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
CID 58483998
N-[(2S)-1-[4-(5-chloro-6-ethoxy-4-fluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497814
N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
CID 90354113
N-[(2S)-1-[4-(4,7-dichloro-6-ethoxy-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122498059
N-[(2S)-1-[3-[[5-fluoro-6-[(4-fluoro-2-pyridinyl)methoxy]pyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122498053
N-[(2S)-1-[4-(7-chloro-6-ethoxy-4-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122498005

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 151266250) is N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(OCc2ccc(OCC3CC3)nc2F)CC1.
What is the InChIKey of N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is NVKGDKIUDMTMCG-YCMKEVRSSA-N. The full InChI is InChI=1S/C21H31FN2O4/c1-14(23-15(2)25)11-26-18-6-8-19(9-7-18)27-13-17-5-10-20(24-21(17)22)28-12-16-3-4-16/h5,10,14,16,18-19H,3-4,6-9,11-13H2,1-2H3,(H,23,25)/t14-,18?,19?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 394.49 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 151266250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).