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

C11H16N2O5 — CID 107845114

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(CO)(CO)CO)cn1
InChIInChI=1S/C11H16N2O5/c1-18-9-3-2-8(4-12-9)10(17)13-11(5-14,6-15)7-16/h2-4,14-16H,5-7H2,1H3,(H,13,17)
InChIKeyZSOBFTFHLDXMOY-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.46
Rot. Bonds6

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

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide (PubChem CID 107845114) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
PubChem CID107845114
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(CO)(CO)CO)cn1
InChIInChI=1S/C11H16N2O5/c1-18-9-3-2-8(4-12-9)10(17)13-11(5-14,6-15)7-16/h2-4,14-16H,5-7H2,1H3,(H,13,17)
InChIKeyZSOBFTFHLDXMOY-UHFFFAOYSA-N
XLogP-1.46
TPSA111.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 107846996
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide
CID 65112036
N-(2-amino-2-oxoethoxy)-6-methoxypyridine-3-carboxamide
CID 112550755
N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
CID 113259274
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide (CID 107845114) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC(CO)(CO)CO)cn1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide?
The InChIKey is ZSOBFTFHLDXMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-18-9-3-2-8(4-12-9)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-methoxypyridine-3-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide has a molecular weight of 256.26 g/mol, XLogP of -1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 107845114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).