N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

C15H22N4O3 — CID 166159304

IUPACN-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCNCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1
InChIInChI=1S/C15H22N4O3/c1-10-3-4-13(22-10)15(21)19-11-5-6-17-12(9-11)14(20)18-8-7-16-2/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyDAWVEJOAFXSASI-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.54
Rot. Bonds6

About N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 166159304) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
PubChem CID166159304
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCNCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1
InChIInChI=1S/C15H22N4O3/c1-10-3-4-13(22-10)15(21)19-11-5-6-17-12(9-11)14(20)18-8-7-16-2/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyDAWVEJOAFXSASI-UHFFFAOYSA-N
XLogP0.54
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358074
1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358071
1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane
CID 178082732
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
5-methyl-N-[2-(methylaminomethyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160576
(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610
5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide
CID 166160891
N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211525
5-methyl-N-[2-(6-methyl-1,6-diazaspiro[3.3]heptane-1-carbonyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166159393
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166160944
3-(2-fluorophenoxy)-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082658

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 166159304) is N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CNCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.
What is the InChIKey of N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is DAWVEJOAFXSASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-3-4-13(22-10)15(21)19-11-5-6-17-12(9-11)14(20)18-8-7-16-2/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 166159304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).