2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

C13H19N3O2 — CID 55041803

IUPAC2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1ccnc(N)c1
InChIInChI=1S/C13H19N3O2/c1-2-16(9-11-4-3-7-18-11)13(17)10-5-6-15-12(14)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,15)
InChIKeyINQYRGNFMNWCCM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds4

About 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 55041803) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID55041803
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1ccnc(N)c1
InChIInChI=1S/C13H19N3O2/c1-2-16(9-11-4-3-7-18-11)13(17)10-5-6-15-12(14)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,15)
InChIKeyINQYRGNFMNWCCM-UHFFFAOYSA-N
XLogP1.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 122565335
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179439
N-ethyl-4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179440
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 119060180
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 55041803) is 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is CCN(CC1CCCO1)C(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is INQYRGNFMNWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-16(9-11-4-3-7-18-11)13(17)10-5-6-15-12(14)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,15).
What are the key properties of 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55041803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).