N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide

C14H19N3O3 — CID 166160944

IUPACN-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC(=O)N(C)c1cc(NC(=O)C2CCC(C)O2)ccn1
InChIInChI=1S/C14H19N3O3/c1-9-4-5-12(20-9)14(19)16-11-6-7-15-13(8-11)17(3)10(2)18/h6-9,12H,4-5H2,1-3H3,(H,15,16,19)
InChIKeyPQMXUBBYTVQHRO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.57
Rot. Bonds3

About N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide

N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide (PubChem CID 166160944) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide
PubChem CID166160944
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC(=O)N(C)c1cc(NC(=O)C2CCC(C)O2)ccn1
InChIInChI=1S/C14H19N3O3/c1-9-4-5-12(20-9)14(19)16-11-6-7-15-13(8-11)17(3)10(2)18/h6-9,12H,4-5H2,1-3H3,(H,15,16,19)
InChIKeyPQMXUBBYTVQHRO-UHFFFAOYSA-N
XLogP1.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide (CID 166160944) is N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide is CC(=O)N(C)c1cc(NC(=O)C2CCC(C)O2)ccn1.
What is the InChIKey of N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The InChIKey is PQMXUBBYTVQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-5-12(20-9)14(19)16-11-6-7-15-13(8-11)17(3)10(2)18/h6-9,12H,4-5H2,1-3H3,(H,15,16,19).
What are the key properties of N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide?
N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166160944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).