N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide

C20H22N6O3 — CID 136542970

IUPACN-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC2CCCN(C(=O)c3cnn4ccc(C)nc34)C2)ccn1
InChIInChI=1S/C20H22N6O3/c1-13-6-9-26-18(24-13)16(11-23-26)20(28)25-8-3-4-15(12-25)29-14-5-7-22-17(10-14)19(27)21-2/h5-7,9-11,15H,3-4,8,12H2,1-2H3,(H,21,27)
InChIKeyZPUYHDWBXABAHB-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.48
Rot. Bonds4

About N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide

N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 136542970) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID136542970
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC2CCCN(C(=O)c3cnn4ccc(C)nc34)C2)ccn1
InChIInChI=1S/C20H22N6O3/c1-13-6-9-26-18(24-13)16(11-23-26)20(28)25-8-3-4-15(12-25)29-14-5-7-22-17(10-14)19(27)21-2/h5-7,9-11,15H,3-4,8,12H2,1-2H3,(H,21,27)
InChIKeyZPUYHDWBXABAHB-UHFFFAOYSA-N
XLogP1.48
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 126827884
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95335579
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514397
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95606652
4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256976
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95243344
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide (CID 136542970) is N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(OC2CCCN(C(=O)c3cnn4ccc(C)nc34)C2)ccn1.
What is the InChIKey of N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is ZPUYHDWBXABAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-13-6-9-26-18(24-13)16(11-23-26)20(28)25-8-3-4-15(12-25)29-14-5-7-22-17(10-14)19(27)21-2/h5-7,9-11,15H,3-4,8,12H2,1-2H3,(H,21,27).
What are the key properties of N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 136542970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).