N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide

C18H26N2O4 — CID 162627396

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H26N2O4/c1-12(2)16-14(3-4-15(21)20-16)17(22)19-13-5-8-24-18(11-13)6-9-23-10-7-18/h3-4,12-13H,5-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYGDUICYZYKXNDC-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.96
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 162627396) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID162627396
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H26N2O4/c1-12(2)16-14(3-4-15(21)20-16)17(22)19-13-5-8-24-18(11-13)6-9-23-10-7-18/h3-4,12-13H,5-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYGDUICYZYKXNDC-UHFFFAOYSA-N
XLogP1.96
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
CID 99970364
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
CID 129345943
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757
N-(4-methoxycyclohexyl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 163313522
2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99929661
2-[2-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)phenyl]sulfanylpropanoic acid
CID 120695926
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide
CID 127984291
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,9-dioxaspiro[5.5]undecan-4-yl)urea
CID 128676663
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethyl-2-oxopyridine-4-carboxamide
CID 70780439
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide
CID 77094231
2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
CID 166196304
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 99956818

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide (CID 162627396) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1[nH]c(=O)ccc1C(=O)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is YGDUICYZYKXNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)16-14(3-4-15(21)20-16)17(22)19-13-5-8-24-18(11-13)6-9-23-10-7-18/h3-4,12-13H,5-11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 162627396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).