N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide

C14H20N2O5 — CID 166368260

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc(=O)n1C
InChIInChI=1S/C14H20N2O5/c1-7-3-8(5-11(18)16(7)2)14(21)15-10-4-9(6-17)12(19)13(10)20/h3,5,9-10,12-13,17,19-20H,4,6H2,1-2H3,(H,15,21)/t9-,10-,12-,13+/m1/s1
InChIKeyHPVJNWLCPRQZIT-WFFHOREQSA-N
MW296.32 g/mol
LogP-1.47
Rot. Bonds3

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide (PubChem CID 166368260) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide
PubChem CID166368260
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc(=O)n1C
InChIInChI=1S/C14H20N2O5/c1-7-3-8(5-11(18)16(7)2)14(21)15-10-4-9(6-17)12(19)13(10)20/h3,5,9-10,12-13,17,19-20H,4,6H2,1-2H3,(H,15,21)/t9-,10-,12-,13+/m1/s1
InChIKeyHPVJNWLCPRQZIT-WFFHOREQSA-N
XLogP-1.47
TPSA111.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide (CID 166368260) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc(=O)n1C.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide?
The InChIKey is HPVJNWLCPRQZIT-WFFHOREQSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-7-3-8(5-11(18)16(7)2)14(21)15-10-4-9(6-17)12(19)13(10)20/h3,5,9-10,12-13,17,19-20H,4,6H2,1-2H3,(H,15,21)/t9-,10-,12-,13+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide has a molecular weight of 296.32 g/mol, XLogP of -1.47, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide is sourced from PubChem (CID 166368260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).