4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide

C13H17N3O3 — CID 177357795

IUPAC4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESCC1CC[C@H](C(=O)N(C)c2ccnc(C(N)=O)c2)O1
InChIInChI=1S/C13H17N3O3/c1-8-3-4-11(19-8)13(18)16(2)9-5-6-15-10(7-9)12(14)17/h5-8,11H,3-4H2,1-2H3,(H2,14,17)/t8?,11-/m1/s1
InChIKeyOFMONCAGJQAPHZ-QHDYGNBISA-N
MW263.30 g/mol
LogP0.71
Rot. Bonds3

About 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide

4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 177357795) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
PubChem CID177357795
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESCC1CC[C@H](C(=O)N(C)c2ccnc(C(N)=O)c2)O1
InChIInChI=1S/C13H17N3O3/c1-8-3-4-11(19-8)13(18)16(2)9-5-6-15-10(7-9)12(14)17/h5-8,11H,3-4H2,1-2H3,(H2,14,17)/t8?,11-/m1/s1
InChIKeyOFMONCAGJQAPHZ-QHDYGNBISA-N
XLogP0.71
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358249
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
1-cyclopropyloxy-3-fluorobenzene;ethane;4-[2-(3-hydrazinylpropoxy)ethyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358064
4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide
CID 79111622
3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid
CID 54925465
N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166160944
1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357775
1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830
4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
CID 128981639
4-[azetidin-3-yl(propyl)amino]pyridine-2-carboxamide
CID 66214733
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
4-[3-aminopropyl(cyclohexyl)amino]pyridine-2-carboxamide
CID 43517535

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 177357795) is 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide is CC1CC[C@H](C(=O)N(C)c2ccnc(C(N)=O)c2)O1.
What is the InChIKey of 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is OFMONCAGJQAPHZ-QHDYGNBISA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-3-4-11(19-8)13(18)16(2)9-5-6-15-10(7-9)12(14)17/h5-8,11H,3-4H2,1-2H3,(H2,14,17)/t8?,11-/m1/s1.
What are the key properties of 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide?
4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2R)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 177357795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).