1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one

C20H27NO3 — CID 161396789

IUPAC1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one
SMILESO=C(CCC1(O)CCCC1)c1cc(OCC2CC2)c(C2CC2)cn1
InChIInChI=1S/C20H27NO3/c22-18(7-10-20(23)8-1-2-9-20)17-11-19(24-13-14-3-4-14)16(12-21-17)15-5-6-15/h11-12,14-15,23H,1-10,13H2
InChIKeyVTRZDSNEPDFSEX-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.02
Rot. Bonds8

About 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one

1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one (PubChem CID 161396789) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one.

Molecular Properties

Compound Name1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one
PubChem CID161396789
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one
SMILESO=C(CCC1(O)CCCC1)c1cc(OCC2CC2)c(C2CC2)cn1
InChIInChI=1S/C20H27NO3/c22-18(7-10-20(23)8-1-2-9-20)17-11-19(24-13-14-3-4-14)16(12-21-17)15-5-6-15/h11-12,14-15,23H,1-10,13H2
InChIKeyVTRZDSNEPDFSEX-UHFFFAOYSA-N
XLogP4.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4-hydroxy-5,5-dimethylhexan-1-one
CID 162245441
3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 86275897
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559
tert-butyl 2-(cyclopropylmethyl)-4-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-methyl-4-oxobutanoate
CID 158986571
1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone
CID 123451180
3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 86275941
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111453694
4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-cyclopropyl-2-fluorobenzoic acid
CID 90016499
1-(azetidin-1-yl)-2-tert-butyl-4-[5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]butane-1,4-dione
CID 157413919
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 117493653
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430830

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one?
The IUPAC name of 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one (CID 161396789) is 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one.
What is the SMILES notation for 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one?
The canonical SMILES for 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one is O=C(CCC1(O)CCCC1)c1cc(OCC2CC2)c(C2CC2)cn1.
What is the InChIKey of 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one?
The InChIKey is VTRZDSNEPDFSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-18(7-10-20(23)8-1-2-9-20)17-11-19(24-13-14-3-4-14)16(12-21-17)15-5-6-15/h11-12,14-15,23H,1-10,13H2.
What are the key properties of 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one?
1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one has a molecular weight of 329.44 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one is sourced from PubChem (CID 161396789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).