1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

C18H19N5O2 — CID 95807541

IUPAC1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCN1c2ncccc2C(=O)NC12CCN(C(=O)c1ccncc1)CC2
InChIInChI=1S/C18H19N5O2/c1-22-15-14(3-2-8-20-15)16(24)21-18(22)6-11-23(12-7-18)17(25)13-4-9-19-10-5-13/h2-5,8-10H,6-7,11-12H2,1H3,(H,21,24)
InChIKeyIUFIBTUAVINGJA-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.29
Rot. Bonds1

About 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 95807541) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID95807541
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCN1c2ncccc2C(=O)NC12CCN(C(=O)c1ccncc1)CC2
InChIInChI=1S/C18H19N5O2/c1-22-15-14(3-2-8-20-15)16(24)21-18(22)6-11-23(12-7-18)17(25)13-4-9-19-10-5-13/h2-5,8-10H,6-7,11-12H2,1H3,(H,21,24)
InChIKeyIUFIBTUAVINGJA-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 126468407
1-methyl-1'-(4-oxo-3H-phthalazine-1-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675928
1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 126468141
1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 46950560
1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675374
1-methyl-1'-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16669052
(1S,5S,6R,7R)-3-methyl-6-(1-methyl-4-oxospiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-1'-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one
CID 95807567
1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169309
1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675382
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675929
1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16672548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (CID 95807541) is 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is CN1c2ncccc2C(=O)NC12CCN(C(=O)c1ccncc1)CC2.
What is the InChIKey of 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is IUFIBTUAVINGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-15-14(3-2-8-20-15)16(24)21-18(22)6-11-23(12-7-18)17(25)13-4-9-19-10-5-13/h2-5,8-10H,6-7,11-12H2,1H3,(H,21,24).
What are the key properties of 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 337.38 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 95807541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).