N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide

C19H22N4O3 — CID 70752204

IUPACN-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C19H22N4O3/c24-17(22-13-10-19(26-12-13)7-3-1-4-8-19)14-11-21-16(23-18(14)25)15-6-2-5-9-20-15/h2,5-6,9,11,13H,1,3-4,7-8,10,12H2,(H,22,24)(H,21,23,25)
InChIKeyNRBDULJBALUEKR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.05
Rot. Bonds3

About N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide

N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 70752204) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID70752204
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C19H22N4O3/c24-17(22-13-10-19(26-12-13)7-3-1-4-8-19)14-11-21-16(23-18(14)25)15-6-2-5-9-20-15/h2,5-6,9,11,13H,1,3-4,7-8,10,12H2,(H,22,24)(H,21,23,25)
InChIKeyNRBDULJBALUEKR-UHFFFAOYSA-N
XLogP2.05
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea
CID 125176825
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
6-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118775695
2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
CID 126451939
5-chloro-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 126423666
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 126442472
N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
CID 77091991
N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125155043
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 124751545
6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 124906860
6-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 124906857

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide (CID 70752204) is N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide is O=C(NC1COC2(CCCCC2)C1)c1cnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is NRBDULJBALUEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-17(22-13-10-19(26-12-13)7-3-1-4-8-19)14-11-21-16(23-18(14)25)15-6-2-5-9-20-15/h2,5-6,9,11,13H,1,3-4,7-8,10,12H2,(H,22,24)(H,21,23,25).
What are the key properties of N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70752204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).