N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide

C11H16N2O4 — CID 107846996

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(CO)(CO)CO)cn1
InChIInChI=1S/C11H16N2O4/c1-8-2-3-9(4-12-8)10(17)13-11(5-14,6-15)7-16/h2-4,14-16H,5-7H2,1H3,(H,13,17)
InChIKeyRWSTWJDRTOMRMD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.16
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 107846996) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID107846996
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(CO)(CO)CO)cn1
InChIInChI=1S/C11H16N2O4/c1-8-2-3-9(4-12-8)10(17)13-11(5-14,6-15)7-16/h2-4,14-16H,5-7H2,1H3,(H,13,17)
InChIKeyRWSTWJDRTOMRMD-UHFFFAOYSA-N
XLogP-1.16
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-methylpyridine-3-carboxamide
CID 107867635
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methylpyridine-3-carboxamide
CID 81487644
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 107847089
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723958
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxy-3-methylbenzamide
CID 114008304
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 115362723
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide (CID 107846996) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(CO)(CO)CO)cn1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is RWSTWJDRTOMRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-2-3-9(4-12-8)10(17)13-11(5-14,6-15)7-16/h2-4,14-16H,5-7H2,1H3,(H,13,17).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 107846996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).