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

C15H22N4O3 — CID 166160891

IUPAC5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide
SMILESCNCC(=O)N(C)c1cc(NC(=O)C2CCC(C)O2)ccn1
InChIInChI=1S/C15H22N4O3/c1-10-4-5-12(22-10)15(21)18-11-6-7-17-13(8-11)19(3)14(20)9-16-2/h6-8,10,12,16H,4-5,9H2,1-3H3,(H,17,18,21)
InChIKeySEHJFJOKDFPNDB-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.77
Rot. Bonds5

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

5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide (PubChem CID 166160891) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide
PubChem CID166160891
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide
SMILESCNCC(=O)N(C)c1cc(NC(=O)C2CCC(C)O2)ccn1
InChIInChI=1S/C15H22N4O3/c1-10-4-5-12(22-10)15(21)18-11-6-7-17-13(8-11)19(3)14(20)9-16-2/h6-8,10,12,16H,4-5,9H2,1-3H3,(H,17,18,21)
InChIKeySEHJFJOKDFPNDB-UHFFFAOYSA-N
XLogP0.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide (CID 166160891) is 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide is CNCC(=O)N(C)c1cc(NC(=O)C2CCC(C)O2)ccn1.
What is the InChIKey of 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide?
The InChIKey is SEHJFJOKDFPNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-4-5-12(22-10)15(21)18-11-6-7-17-13(8-11)19(3)14(20)9-16-2/h6-8,10,12,16H,4-5,9H2,1-3H3,(H,17,18,21).
What are the key properties of 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide?
5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 166160891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).