N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide

C12H16N2O4 — CID 113337975

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H16N2O4/c1-17-11-9(3-2-5-13-11)10(15)14-7-12(16)4-6-18-8-12/h2-3,5,16H,4,6-8H2,1H3,(H,14,15)
InChIKeyDDCLOODEYCLMOM-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.03
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 113337975) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
PubChem CID113337975
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H16N2O4/c1-17-11-9(3-2-5-13-11)10(15)14-7-12(16)4-6-18-8-12/h2-3,5,16H,4,6-8H2,1H3,(H,14,15)
InChIKeyDDCLOODEYCLMOM-UHFFFAOYSA-N
XLogP-0.03
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113313670
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
2-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
CID 122276276
2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
CID 129397711
N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
CID 103849206
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-2-methoxypyridine-3-carboxamide
CID 122556668
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 110123546
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide
CID 154802149
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide (CID 113337975) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is DDCLOODEYCLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-11-9(3-2-5-13-11)10(15)14-7-12(16)4-6-18-8-12/h2-3,5,16H,4,6-8H2,1H3,(H,14,15).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 113337975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).