N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide

C13H21N3O2 — CID 81240200

IUPACN-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)N(CCO)C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)16(5-6-17)13(18)11-8-15-10(3)7-12(11)14-4/h7-9,17H,5-6H2,1-4H3,(H,14,15)
InChIKeyGPLKDXSOOCIWMK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds5

About N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide

N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 81240200) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID81240200
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)N(CCO)C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)16(5-6-17)13(18)11-8-15-10(3)7-12(11)14-4/h7-9,17H,5-6H2,1-4H3,(H,14,15)
InChIKeyGPLKDXSOOCIWMK-UHFFFAOYSA-N
XLogP1.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243339
N-(cyclopropylmethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81240435
N-butyl-N-(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243352
N-(2-cyanoethyl)-4-hydrazinyl-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 81256489
N,N-diethyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236532
N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81234794
N-[3-(diethylamino)propyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235857
6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236299
4-chloro-6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225563
4-(ethylamino)-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 81235846
N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81243054
6-methyl-4-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 81234798

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide (CID 81240200) is N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is GPLKDXSOOCIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16(5-6-17)13(18)11-8-15-10(3)7-12(11)14-4/h7-9,17H,5-6H2,1-4H3,(H,14,15).
What are the key properties of N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide?
N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 81240200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).