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

C18H26N2O4 — CID 75529503

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide
SMILESCc1cccc(OC[C@H]2C[C@@H](NC(=O)C3CCCC3)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C18H26N2O4/c1-11-5-4-8-15(19-11)24-10-13-9-14(17(22)16(13)21)20-18(23)12-6-2-3-7-12/h4-5,8,12-14,16-17,21-22H,2-3,6-7,9-10H2,1H3,(H,20,23)/t13-,14-,16-,17+/m1/s1
InChIKeyCEGXAOPPWUMKIQ-SRABZTEZSA-N
MW334.42 g/mol
LogP1.19
Rot. Bonds5

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

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide (PubChem CID 75529503) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide
PubChem CID75529503
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide
SMILESCc1cccc(OC[C@H]2C[C@@H](NC(=O)C3CCCC3)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C18H26N2O4/c1-11-5-4-8-15(19-11)24-10-13-9-14(17(22)16(13)21)20-18(23)12-6-2-3-7-12/h4-5,8,12-14,16-17,21-22H,2-3,6-7,9-10H2,1H3,(H,20,23)/t13-,14-,16-,17+/m1/s1
InChIKeyCEGXAOPPWUMKIQ-SRABZTEZSA-N
XLogP1.19
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide (CID 75529503) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide is Cc1cccc(OC[C@H]2C[C@@H](NC(=O)C3CCCC3)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide?
The InChIKey is CEGXAOPPWUMKIQ-SRABZTEZSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-11-5-4-8-15(19-11)24-10-13-9-14(17(22)16(13)21)20-18(23)12-6-2-3-7-12/h4-5,8,12-14,16-17,21-22H,2-3,6-7,9-10H2,1H3,(H,20,23)/t13-,14-,16-,17+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide is sourced from PubChem (CID 75529503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).