2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid

C19H22N4O5 — CID 137296976

IUPAC2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid
SMILESC[C@@H](NC(=O)c1nc(-c2cc(C(=O)O)ccn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C19H22N4O5/c1-10(11-5-3-2-4-6-11)21-17(25)14-15(24)18(26)23-16(22-14)13-9-12(19(27)28)7-8-20-13/h7-11,24H,2-6H2,1H3,(H,21,25)(H,27,28)(H,22,23,26)/t10-/m1/s1
InChIKeyCVKRVIFLIDTHKH-SNVBAGLBSA-N
MW386.41 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid

2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid (PubChem CID 137296976) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid
PubChem CID137296976
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid
SMILESC[C@@H](NC(=O)c1nc(-c2cc(C(=O)O)ccn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C19H22N4O5/c1-10(11-5-3-2-4-6-11)21-17(25)14-15(24)18(26)23-16(22-14)13-9-12(19(27)28)7-8-20-13/h7-11,24H,2-6H2,1H3,(H,21,25)(H,27,28)(H,22,23,26)/t10-/m1/s1
InChIKeyCVKRVIFLIDTHKH-SNVBAGLBSA-N
XLogP1.93
TPSA145.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297111
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297033
[6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid
CID 137297093
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297084
N-(1-cyclohexylethyl)-5-hydroxy-2-(6-methoxy-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297015
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 138058185
5-hydroxy-N-(4-methylphenyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593198
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid (CID 137296976) is 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid is C[C@@H](NC(=O)c1nc(-c2cc(C(=O)O)ccn2)[nH]c(=O)c1O)C1CCCCC1.
What is the InChIKey of 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid?
The InChIKey is CVKRVIFLIDTHKH-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-10(11-5-3-2-4-6-11)21-17(25)14-15(24)18(26)23-16(22-14)13-9-12(19(27)28)7-8-20-13/h7-11,24H,2-6H2,1H3,(H,21,25)(H,27,28)(H,22,23,26)/t10-/m1/s1.
What are the key properties of 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid?
2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 137296976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).