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

C19H28N2O4 — CID 75367837

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide
SMILESCc1cccc(OCC2(CNC(=O)C3CCCC3)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C19H28N2O4/c1-13-5-4-8-17(21-13)25-12-19(9-15(22)16(23)10-19)11-20-18(24)14-6-2-3-7-14/h4-5,8,14-16,22-23H,2-3,6-7,9-12H2,1H3,(H,20,24)/t15-,16+,19?
InChIKeyAKMFSOTZSMJUDK-MCPYQZEQSA-N
MW348.44 g/mol
LogP1.58
Rot. Bonds6

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

N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide (PubChem CID 75367837) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide
PubChem CID75367837
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide
SMILESCc1cccc(OCC2(CNC(=O)C3CCCC3)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C19H28N2O4/c1-13-5-4-8-17(21-13)25-12-19(9-15(22)16(23)10-19)11-20-18(24)14-6-2-3-7-14/h4-5,8,14-16,22-23H,2-3,6-7,9-12H2,1H3,(H,20,24)/t15-,16+,19?
InChIKeyAKMFSOTZSMJUDK-MCPYQZEQSA-N
XLogP1.58
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]cyclopentanecarboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide (CID 75367837) is N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide is Cc1cccc(OCC2(CNC(=O)C3CCCC3)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]cyclopentanecarboxamide?
The InChIKey is AKMFSOTZSMJUDK-MCPYQZEQSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-5-4-8-17(21-13)25-12-19(9-15(22)16(23)10-19)11-20-18(24)14-6-2-3-7-14/h4-5,8,14-16,22-23H,2-3,6-7,9-12H2,1H3,(H,20,24)/t15-,16+,19?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]cyclopentanecarboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 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]cyclopentanecarboxamide is sourced from PubChem (CID 75367837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).