N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide

C13H18N2O3 — CID 107301519

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C13H18N2O3/c1-9-4-3-6-14-11(9)12(16)15-8-13(17)5-7-18-10(13)2/h3-4,6,10,17H,5,7-8H2,1-2H3,(H,15,16)
InChIKeyMLVZVKYAWPCCOO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.66
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide (PubChem CID 107301519) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
PubChem CID107301519
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C13H18N2O3/c1-9-4-3-6-14-11(9)12(16)15-8-13(17)5-7-18-10(13)2/h3-4,6,10,17H,5,7-8H2,1-2H3,(H,15,16)
InChIKeyMLVZVKYAWPCCOO-UHFFFAOYSA-N
XLogP0.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide
CID 107302188
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide
CID 106102914
3,4,5-trichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 107302208
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide (CID 107301519) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCC1(O)CCOC1C.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is MLVZVKYAWPCCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-3-6-14-11(9)12(16)15-8-13(17)5-7-18-10(13)2/h3-4,6,10,17H,5,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 107301519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).