2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide

C13H18N2O3 — CID 75506217

IUPAC2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCC1(C)OCCO1
InChIInChI=1S/C13H18N2O3/c1-10-11(4-3-6-14-10)12(16)15-7-5-13(2)17-8-9-18-13/h3-4,6H,5,7-9H2,1-2H3,(H,15,16)
InChIKeyXPJRFXJIJVHACG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.27
Rot. Bonds4

About 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide

2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 75506217) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID75506217
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCC1(C)OCCO1
InChIInChI=1S/C13H18N2O3/c1-10-11(4-3-6-14-10)12(16)15-7-5-13(2)17-8-9-18-13/h3-4,6H,5,7-9H2,1-2H3,(H,15,16)
InChIKeyXPJRFXJIJVHACG-UHFFFAOYSA-N
XLogP1.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 75522368
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
CID 78950976
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
N-[(4-hydroxythian-4-yl)methyl]-2-methylpyridine-3-carboxamide
CID 111484670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide (CID 75506217) is 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide is Cc1ncccc1C(=O)NCCC1(C)OCCO1.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is XPJRFXJIJVHACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-11(4-3-6-14-10)12(16)15-7-5-13(2)17-8-9-18-13/h3-4,6H,5,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide?
2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 75506217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).