(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

C20H28N2O4 — CID 23760575

IUPAC(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1cccnc1)C1=C[C@@H](C2CCCC2)C[C@@H](OCCCCO)O1
InChIInChI=1S/C20H28N2O4/c23-10-3-4-11-25-19-13-16(15-6-1-2-7-15)12-18(26-19)20(24)22-17-8-5-9-21-14-17/h5,8-9,12,14-16,19,23H,1-4,6-7,10-11,13H2,(H,22,24)/t16-,19+/m1/s1
InChIKeyBDJPTDCMEHVFDX-APWZRJJASA-N
MW360.45 g/mol
LogP3.25
Rot. Bonds8

About (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23760575) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23760575
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1cccnc1)C1=C[C@@H](C2CCCC2)C[C@@H](OCCCCO)O1
InChIInChI=1S/C20H28N2O4/c23-10-3-4-11-25-19-13-16(15-6-1-2-7-15)12-18(26-19)20(24)22-17-8-5-9-21-14-17/h5,8-9,12,14-16,19,23H,1-4,6-7,10-11,13H2,(H,22,24)/t16-,19+/m1/s1
InChIKeyBDJPTDCMEHVFDX-APWZRJJASA-N
XLogP3.25
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847009
(2S,4R)-4-cyclopentyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902815
(2S,4R)-4-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902811
(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818306
(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-pyridin-3-yl-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23874899
(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818351
(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-(4-oxochromen-3-yl)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930806
(2R,4R)-2-(4-hydroxybutoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 11728973
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
(2S,4R)-N,4-dicyclopentyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23958543
(2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902639
methyl 4-[(2S,4S)-6-[(2-aminophenyl)carbamoyl]-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 6670196

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23760575) is (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1cccnc1)C1=C[C@@H](C2CCCC2)C[C@@H](OCCCCO)O1.
What is the InChIKey of (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is BDJPTDCMEHVFDX-APWZRJJASA-N. The full InChI is InChI=1S/C20H28N2O4/c23-10-3-4-11-25-19-13-16(15-6-1-2-7-15)12-18(26-19)20(24)22-17-8-5-9-21-14-17/h5,8-9,12,14-16,19,23H,1-4,6-7,10-11,13H2,(H,22,24)/t16-,19+/m1/s1.
What are the key properties of (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23760575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).