N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide

C16H23N3O2 — CID 136993210

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)C2CC23CCCCC3)n1
InChIInChI=1S/C16H23N3O2/c1-11-9-14(20)19-13(18-11)5-8-17-15(21)12-10-16(12)6-3-2-4-7-16/h9,12H,2-8,10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyKSIIKCJHTATJLU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.71
Rot. Bonds4

About N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide (PubChem CID 136993210) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
PubChem CID136993210
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)C2CC23CCCCC3)n1
InChIInChI=1S/C16H23N3O2/c1-11-9-14(20)19-13(18-11)5-8-17-15(21)12-10-16(12)6-3-2-4-7-16/h9,12H,2-8,10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyKSIIKCJHTATJLU-UHFFFAOYSA-N
XLogP1.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316
methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 136867852
methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 137148249
(3R)-2-ethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136756274
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
CID 137025351
(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 137108620
(3S)-8-methoxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136861463
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 137108586
(1S,3S,8R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 136930406
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]spiro[2.3]hexane-2-carboxamide
CID 131918593
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide (CID 136993210) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)C2CC23CCCCC3)n1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide?
The InChIKey is KSIIKCJHTATJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-9-14(20)19-13(18-11)5-8-17-15(21)12-10-16(12)6-3-2-4-7-16/h9,12H,2-8,10H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 136993210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).