N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide

C18H27N3O5 — CID 75367845

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide
SMILESCc1cccc(OCC2(CNC(=O)N3CCOCC3)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C18H27N3O5/c1-13-3-2-4-16(20-13)26-12-18(9-14(22)15(23)10-18)11-19-17(24)21-5-7-25-8-6-21/h2-4,14-15,22-23H,5-12H2,1H3,(H,19,24)/t14-,15+,18?
InChIKeyHBNAPDANQLNKCE-MVVMVCHASA-N
MW365.43 g/mol
LogP0.31
Rot. Bonds5

About N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide

N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide (PubChem CID 75367845) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide
PubChem CID75367845
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide
SMILESCc1cccc(OCC2(CNC(=O)N3CCOCC3)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C18H27N3O5/c1-13-3-2-4-16(20-13)26-12-18(9-14(22)15(23)10-18)11-19-17(24)21-5-7-25-8-6-21/h2-4,14-15,22-23H,5-12H2,1H3,(H,19,24)/t14-,15+,18?
InChIKeyHBNAPDANQLNKCE-MVVMVCHASA-N
XLogP0.31
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide (CID 75367845) is N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide is Cc1cccc(OCC2(CNC(=O)N3CCOCC3)C[C@@H](O)[C@@H](O)C2)n1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide?
The InChIKey is HBNAPDANQLNKCE-MVVMVCHASA-N. The full InChI is InChI=1S/C18H27N3O5/c1-13-3-2-4-16(20-13)26-12-18(9-14(22)15(23)10-18)11-19-17(24)21-5-7-25-8-6-21/h2-4,14-15,22-23H,5-12H2,1H3,(H,19,24)/t14-,15+,18?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75367845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).