N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide

C20H22N6O2 — CID 171631581

IUPACN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(-n2cc(C#N)cn2)nc1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H22N6O2/c1-14(19(28)25-8-6-20(4-5-20)7-9-25)24-18(27)16-2-3-17(22-12-16)26-13-15(10-21)11-23-26/h2-3,11-14H,4-9H2,1H3,(H,24,27)
InChIKeyRRQBALVSTOVZNM-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.66
Rot. Bonds4

About N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide

N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 171631581) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide
PubChem CID171631581
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(-n2cc(C#N)cn2)nc1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H22N6O2/c1-14(19(28)25-8-6-20(4-5-20)7-9-25)24-18(27)16-2-3-17(22-12-16)26-13-15(10-21)11-23-26/h2-3,11-14H,4-9H2,1H3,(H,24,27)
InChIKeyRRQBALVSTOVZNM-UHFFFAOYSA-N
XLogP1.66
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridine-3-carboxamide
CID 171631062
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide
CID 171631517
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
CID 171631065
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-cyclopropylbenzamide
CID 171631480
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
CID 174373909
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 171631157
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 171631075
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 171631270
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide
CID 171631173
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(3-cyanophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 171631377
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 174372863
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 171631464

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide (CID 171631581) is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(-n2cc(C#N)cn2)nc1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is RRQBALVSTOVZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14(19(28)25-8-6-20(4-5-20)7-9-25)24-18(27)16-2-3-17(22-12-16)26-13-15(10-21)11-23-26/h2-3,11-14H,4-9H2,1H3,(H,24,27).
What are the key properties of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide?
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171631581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).