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

C19H24N4O3 — CID 137297033

IUPACN-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N[C@H](C)C3CCCCC3)c(O)c(=O)[nH]2)nc1
InChIInChI=1S/C19H24N4O3/c1-11-8-9-14(20-10-11)17-22-15(16(24)19(26)23-17)18(25)21-12(2)13-6-4-3-5-7-13/h8-10,12-13,24H,3-7H2,1-2H3,(H,21,25)(H,22,23,26)/t12-/m1/s1
InChIKeyJEJFRKOMWFVPQH-GFCCVEGCSA-N
MW356.43 g/mol
LogP2.54
Rot. Bonds4

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

N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137297033) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137297033
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N[C@H](C)C3CCCCC3)c(O)c(=O)[nH]2)nc1
InChIInChI=1S/C19H24N4O3/c1-11-8-9-14(20-10-11)17-22-15(16(24)19(26)23-17)18(25)21-12(2)13-6-4-3-5-7-13/h8-10,12-13,24H,3-7H2,1-2H3,(H,21,25)(H,22,23,26)/t12-/m1/s1
InChIKeyJEJFRKOMWFVPQH-GFCCVEGCSA-N
XLogP2.54
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.54
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-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 137297033) is N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1ccc(-c2nc(C(=O)N[C@H](C)C3CCCCC3)c(O)c(=O)[nH]2)nc1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is JEJFRKOMWFVPQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-8-9-14(20-10-11)17-22-15(16(24)19(26)23-17)18(25)21-12(2)13-6-4-3-5-7-13/h8-10,12-13,24H,3-7H2,1-2H3,(H,21,25)(H,22,23,26)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.54, 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-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137297033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).