N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

C18H22N4O3 — CID 137297055

IUPACN-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C18H22N4O3/c1-11(12-7-3-2-4-8-12)20-17(24)14-15(23)18(25)22-16(21-14)13-9-5-6-10-19-13/h5-6,9-12,23H,2-4,7-8H2,1H3,(H,20,24)(H,21,22,25)/t11-/m1/s1
InChIKeyUNFWPBJLRMFRQI-LLVKDONJSA-N
MW342.40 g/mol
LogP2.24
Rot. Bonds4

About N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 137297055) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID137297055
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C18H22N4O3/c1-11(12-7-3-2-4-8-12)20-17(24)14-15(23)18(25)22-16(21-14)13-9-5-6-10-19-13/h5-6,9-12,23H,2-4,7-8H2,1H3,(H,20,24)(H,21,22,25)/t11-/m1/s1
InChIKeyUNFWPBJLRMFRQI-LLVKDONJSA-N
XLogP2.24
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 137297055) is N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is UNFWPBJLRMFRQI-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(12-7-3-2-4-8-12)20-17(24)14-15(23)18(25)22-16(21-14)13-9-5-6-10-19-13/h5-6,9-12,23H,2-4,7-8H2,1H3,(H,20,24)(H,21,22,25)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137297055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).