N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide

C14H20N2O4 — CID 75368083

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide
SMILESCOCC1(CNC(=O)c2cccnc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H20N2O4/c1-20-9-14(5-11(17)12(18)6-14)8-16-13(19)10-3-2-4-15-7-10/h2-4,7,11-12,17-18H,5-6,8-9H2,1H3,(H,16,19)/t11-,12+,14?
InChIKeyOTQIZXZBWFWTRO-ONXXMXGDSA-N
MW280.32 g/mol
LogP-0.04
Rot. Bonds5

About N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide

N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide (PubChem CID 75368083) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide
PubChem CID75368083
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide
SMILESCOCC1(CNC(=O)c2cccnc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H20N2O4/c1-20-9-14(5-11(17)12(18)6-14)8-16-13(19)10-3-2-4-15-7-10/h2-4,7,11-12,17-18H,5-6,8-9H2,1H3,(H,16,19)/t11-,12+,14?
InChIKeyOTQIZXZBWFWTRO-ONXXMXGDSA-N
XLogP-0.04
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.04
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-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide (CID 75368083) is N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide is COCC1(CNC(=O)c2cccnc2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The InChIKey is OTQIZXZBWFWTRO-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-9-14(5-11(17)12(18)6-14)8-16-13(19)10-3-2-4-15-7-10/h2-4,7,11-12,17-18H,5-6,8-9H2,1H3,(H,16,19)/t11-,12+,14?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of -0.04, 5 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-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 75368083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).