N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide

C21H25N5O2 — CID 171631199

IUPACN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CC2)c1ccc(-n2ccc(C3CC3)n2)nc1
InChIInChI=1S/C21H25N5O2/c27-19(25-11-8-21(6-7-21)9-12-25)14-23-20(28)16-3-4-18(22-13-16)26-10-5-17(24-26)15-1-2-15/h3-5,10,13,15H,1-2,6-9,11-12,14H2,(H,23,28)
InChIKeyITHAYJKWRXWHLM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 171631199) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID171631199
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CC2)c1ccc(-n2ccc(C3CC3)n2)nc1
InChIInChI=1S/C21H25N5O2/c27-19(25-11-8-21(6-7-21)9-12-25)14-23-20(28)16-3-4-18(22-13-16)26-10-5-17(24-26)15-1-2-15/h3-5,10,13,15H,1-2,6-9,11-12,14H2,(H,23,28)
InChIKeyITHAYJKWRXWHLM-UHFFFAOYSA-N
XLogP2.28
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide
CID 171631360
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide;cyclopropylbenzene
CID 171631390
N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 171631407
6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbothioamide
CID 62488145
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridine-3-carboxamide
CID 171631062
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
CID 171631086
6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 53014458
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide
CID 171914203
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide
CID 171631581

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide (CID 171631199) is N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide is O=C(NCC(=O)N1CCC2(CC1)CC2)c1ccc(-n2ccc(C3CC3)n2)nc1.
What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is ITHAYJKWRXWHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-19(25-11-8-21(6-7-21)9-12-25)14-23-20(28)16-3-4-18(22-13-16)26-10-5-17(24-26)15-1-2-15/h3-5,10,13,15H,1-2,6-9,11-12,14H2,(H,23,28).
What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide?
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171631199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).