3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide

C15H21N3O3 — CID 90985661

IUPAC3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(CC2CCC3(CC2)OCCO3)ccc1N
InChIInChI=1S/C15H21N3O3/c16-12-2-1-11(18-13(12)14(17)19)9-10-3-5-15(6-4-10)20-7-8-21-15/h1-2,10H,3-9,16H2,(H2,17,19)
InChIKeyODXGWMFGJUDRPT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide

3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide (PubChem CID 90985661) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide
PubChem CID90985661
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(CC2CCC3(CC2)OCCO3)ccc1N
InChIInChI=1S/C15H21N3O3/c16-12-2-1-11(18-13(12)14(17)19)9-10-3-5-15(6-4-10)20-7-8-21-15/h1-2,10H,3-9,16H2,(H2,17,19)
InChIKeyODXGWMFGJUDRPT-UHFFFAOYSA-N
XLogP1.24
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine
CID 162439706
8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
CID 10756681
4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)benzenesulfonic acid
CID 118435696
2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide
CID 67253971
(4-benzylpiperidin-1-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 108989730
5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide
CID 175864492
3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole
CID 91662372
5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 119052804
8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
CID 58749727
1-(4-benzylpiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethane-1,2-dione
CID 108985978
3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 28650668
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 171703757

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide (CID 90985661) is 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide is NC(=O)c1nc(CC2CCC3(CC2)OCCO3)ccc1N.
What is the InChIKey of 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide?
The InChIKey is ODXGWMFGJUDRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-12-2-1-11(18-13(12)14(17)19)9-10-3-5-15(6-4-10)20-7-8-21-15/h1-2,10H,3-9,16H2,(H2,17,19).
What are the key properties of 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide?
3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90985661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).