2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide

C13H21N3O2 — CID 115704020

IUPAC2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CCC(C)O)ccn1
InChIInChI=1S/C13H21N3O2/c1-4-14-12-9-11(5-7-15-12)13(18)16(3)8-6-10(2)17/h5,7,9-10,17H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyCURXETXCLACKDT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.36
Rot. Bonds6

About 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide

2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide (PubChem CID 115704020) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide
PubChem CID115704020
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CCC(C)O)ccn1
InChIInChI=1S/C13H21N3O2/c1-4-14-12-9-11(5-7-15-12)13(18)16(3)8-6-10(2)17/h5,7,9-10,17H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyCURXETXCLACKDT-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356
2-(ethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 62167745
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 55042857
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
2-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 62175582
N-cyclobutyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 102685218
2-(ethylamino)-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55047494
N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 79864167
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62181870

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide (CID 115704020) is 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide is CCNc1cc(C(=O)N(C)CCC(C)O)ccn1.
What is the InChIKey of 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide?
The InChIKey is CURXETXCLACKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-14-12-9-11(5-7-15-12)13(18)16(3)8-6-10(2)17/h5,7,9-10,17H,4,6,8H2,1-3H3,(H,14,15).
What are the key properties of 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide?
2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115704020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).