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

C14H21N3O2 — CID 66257562

IUPAC4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCc1ncccc1C
InChIInChI=1S/C14H21N3O2/c1-3-15-13-9-19-8-11(13)14(18)17-7-12-10(2)5-4-6-16-12/h4-6,11,13,15H,3,7-9H2,1-2H3,(H,17,18)
InChIKeySMKHDDAQYXWMNY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.63
Rot. Bonds5

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

4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 66257562) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID66257562
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCc1ncccc1C
InChIInChI=1S/C14H21N3O2/c1-3-15-13-9-19-8-11(13)14(18)17-7-12-10(2)5-4-6-16-12/h4-6,11,13,15H,3,7-9H2,1-2H3,(H,17,18)
InChIKeySMKHDDAQYXWMNY-UHFFFAOYSA-N
XLogP0.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide (CID 66257562) is 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCc1ncccc1C.
What is the InChIKey of 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is SMKHDDAQYXWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-15-13-9-19-8-11(13)14(18)17-7-12-10(2)5-4-6-16-12/h4-6,11,13,15H,3,7-9H2,1-2H3,(H,17,18).
What are the key properties of 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66257562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).