N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide

C21H27N5O3 — CID 126942500

IUPACN-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(Cn2cnc(-c3ccncc3)cc2=O)CC1
InChIInChI=1S/C21H27N5O3/c27-20-13-19(17-1-7-22-8-2-17)23-15-26(20)14-16-3-9-25(10-4-16)21(28)24-18-5-11-29-12-6-18/h1-2,7-8,13,15-16,18H,3-6,9-12,14H2,(H,24,28)
InChIKeyHWADBDGNBUVBSF-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.91
Rot. Bonds4

About N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide

N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 126942500) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID126942500
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(Cn2cnc(-c3ccncc3)cc2=O)CC1
InChIInChI=1S/C21H27N5O3/c27-20-13-19(17-1-7-22-8-2-17)23-15-26(20)14-16-3-9-25(10-4-16)21(28)24-18-5-11-29-12-6-18/h1-2,7-8,13,15-16,18H,3-6,9-12,14H2,(H,24,28)
InChIKeyHWADBDGNBUVBSF-UHFFFAOYSA-N
XLogP1.91
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942798
3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942493
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942845
3-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942501
3-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942852
6-pyridin-4-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942838
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942767
3-[[1-(1H-indole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942543
6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942580
3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942699
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942550

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide (CID 126942500) is N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(Cn2cnc(-c3ccncc3)cc2=O)CC1.
What is the InChIKey of N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is HWADBDGNBUVBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-20-13-19(17-1-7-22-8-2-17)23-15-26(20)14-16-3-9-25(10-4-16)21(28)24-18-5-11-29-12-6-18/h1-2,7-8,13,15-16,18H,3-6,9-12,14H2,(H,24,28).
What are the key properties of N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide?
N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126942500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).