N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide

C12H19N3O3 — CID 113468052

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N(CCO)CCOC
InChIInChI=1S/C12H19N3O3/c1-13-11-10(4-3-5-14-11)12(17)15(6-8-16)7-9-18-2/h3-5,16H,6-9H2,1-2H3,(H,13,14)
InChIKeyVBANMZRLMGJCKO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.20
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 113468052) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID113468052
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N(CCO)CCOC
InChIInChI=1S/C12H19N3O3/c1-13-11-10(4-3-5-14-11)12(17)15(6-8-16)7-9-18-2/h3-5,16H,6-9H2,1-2H3,(H,13,14)
InChIKeyVBANMZRLMGJCKO-UHFFFAOYSA-N
XLogP0.20
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486122
N-cyclopropyl-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62174760
N-ethyl-2-hydrazinyl-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 62247153
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
2-hydrazinyl-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62241293
N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173918
2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180106
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902215
1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106772798

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide (CID 113468052) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)N(CCO)CCOC.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is VBANMZRLMGJCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-11-10(4-3-5-14-11)12(17)15(6-8-16)7-9-18-2/h3-5,16H,6-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 113468052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).