4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide

C13H19N3O2 — CID 82737954

IUPAC4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCCc1cccnc1CNC(=O)C1COCC1N
InChIInChI=1S/C13H19N3O2/c1-2-9-4-3-5-15-12(9)6-16-13(17)10-7-18-8-11(10)14/h3-5,10-11H,2,6-8,14H2,1H3,(H,16,17)
InChIKeyZXLRKYRRWCQDEQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.23
Rot. Bonds4

About 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide

4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 82737954) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID82737954
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCCc1cccnc1CNC(=O)C1COCC1N
InChIInChI=1S/C13H19N3O2/c1-2-9-4-3-5-15-12(9)6-16-13(17)10-7-18-8-11(10)14/h3-5,10-11H,2,6-8,14H2,1H3,(H,16,17)
InChIKeyZXLRKYRRWCQDEQ-UHFFFAOYSA-N
XLogP0.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 82732011
N-[(3-ethyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82732740
4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 66257562
4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide
CID 66240401
4-amino-N-(1H-pyrazol-5-ylmethyl)oxolane-3-carboxamide
CID 66236271
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide
CID 66238076
4-amino-N-[(3-ethoxyphenyl)methyl]oxolane-3-carboxamide
CID 66239651
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
4-amino-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 66239603
4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide
CID 66236279
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
N-[(3-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 82748805

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide (CID 82737954) is 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide is CCc1cccnc1CNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is ZXLRKYRRWCQDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-9-4-3-5-15-12(9)6-16-13(17)10-7-18-8-11(10)14/h3-5,10-11H,2,6-8,14H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 82737954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).