N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide

C12H16N2O4 — CID 155996088

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2COC[C@@H](O)[C@H]2O)cn1
InChIInChI=1S/C12H16N2O4/c1-7-2-3-8(4-13-7)12(17)14-9-5-18-6-10(15)11(9)16/h2-4,9-11,15-16H,5-6H2,1H3,(H,14,17)/t9-,10-,11+/m1/s1
InChIKeyGXKRKNZRCVPOFQ-MXWKQRLJSA-N
MW252.27 g/mol
LogP-0.76
Rot. Bonds2

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide (PubChem CID 155996088) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide
PubChem CID155996088
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2COC[C@@H](O)[C@H]2O)cn1
InChIInChI=1S/C12H16N2O4/c1-7-2-3-8(4-13-7)12(17)14-9-5-18-6-10(15)11(9)16/h2-4,9-11,15-16H,5-6H2,1H3,(H,14,17)/t9-,10-,11+/m1/s1
InChIKeyGXKRKNZRCVPOFQ-MXWKQRLJSA-N
XLogP-0.76
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide (CID 155996088) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H]2COC[C@@H](O)[C@H]2O)cn1.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is GXKRKNZRCVPOFQ-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-2-3-8(4-13-7)12(17)14-9-5-18-6-10(15)11(9)16/h2-4,9-11,15-16H,5-6H2,1H3,(H,14,17)/t9-,10-,11+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155996088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).