4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide

C13H15N3O4 — CID 166159349

IUPAC4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCC3(COC3)O2)ccn1
InChIInChI=1S/C13H15N3O4/c14-11(17)9-5-8(2-4-15-9)16-12(18)10-1-3-13(20-10)6-19-7-13/h2,4-5,10H,1,3,6-7H2,(H2,14,17)(H,15,16,18)
InChIKeySHUZEHWVIGXKJE-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.07
Rot. Bonds3

About 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide

4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide (PubChem CID 166159349) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide
PubChem CID166159349
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCC3(COC3)O2)ccn1
InChIInChI=1S/C13H15N3O4/c14-11(17)9-5-8(2-4-15-9)16-12(18)10-1-3-13(20-10)6-19-7-13/h2,4-5,10H,1,3,6-7H2,(H2,14,17)(H,15,16,18)
InChIKeySHUZEHWVIGXKJE-UHFFFAOYSA-N
XLogP0.07
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 156750138
4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
CID 177192399
4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 156750142
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
(6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide
CID 177218464
1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 178021073
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide
CID 166161611
1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441153
CID 166161608
CID 166161608
1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
CID 156750201

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide?
The IUPAC name of 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide (CID 166159349) is 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)C2CCC3(COC3)O2)ccn1.
What is the InChIKey of 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide?
The InChIKey is SHUZEHWVIGXKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c14-11(17)9-5-8(2-4-15-9)16-12(18)10-1-3-13(20-10)6-19-7-13/h2,4-5,10H,1,3,6-7H2,(H2,14,17)(H,15,16,18).
What are the key properties of 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide?
4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide is sourced from PubChem (CID 166159349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).