cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide

C14H21N3O3 — CID 136664799

IUPACcis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[C@@H](O)C2)n1
InChIInChI=1S/C14H21N3O3/c1-9-7-13(19)17-12(16-9)5-6-15-14(20)10-3-2-4-11(18)8-10/h7,10-11,18H,2-6,8H2,1H3,(H,15,20)(H,16,17,19)/t10-,11+/m0/s1
InChIKeyLYYPAXPXBHEXEJ-WDEREUQCSA-N
MW279.34 g/mol
LogP0.29
Rot. Bonds4

About cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 136664799) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID136664799
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namecis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[C@@H](O)C2)n1
InChIInChI=1S/C14H21N3O3/c1-9-7-13(19)17-12(16-9)5-6-15-14(20)10-3-2-4-11(18)8-10/h7,10-11,18H,2-6,8H2,1H3,(H,15,20)(H,16,17,19)/t10-,11+/m0/s1
InChIKeyLYYPAXPXBHEXEJ-WDEREUQCSA-N
XLogP0.29
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide (CID 136664799) is cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[C@@H](O)C2)n1.
What is the InChIKey of cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is LYYPAXPXBHEXEJ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-7-13(19)17-12(16-9)5-6-15-14(20)10-3-2-4-11(18)8-10/h7,10-11,18H,2-6,8H2,1H3,(H,15,20)(H,16,17,19)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 136664799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).