N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide

C18H22N4O3 — CID 91626453

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3ccc[nH]c3=O)CC2)n1
InChIInChI=1S/C18H22N4O3/c1-11-10-12(2)21-18(20-11)25-14-7-5-13(6-8-14)22-17(24)15-4-3-9-19-16(15)23/h3-4,9-10,13-14H,5-8H2,1-2H3,(H,19,23)(H,22,24)
InChIKeyFNCAUHFKYJQQPM-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.90
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 91626453) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID91626453
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3ccc[nH]c3=O)CC2)n1
InChIInChI=1S/C18H22N4O3/c1-11-10-12(2)21-18(20-11)25-14-7-5-13(6-8-14)22-17(24)15-4-3-9-19-16(15)23/h3-4,9-10,13-14H,5-8H2,1-2H3,(H,19,23)(H,22,24)
InChIKeyFNCAUHFKYJQQPM-UHFFFAOYSA-N
XLogP1.90
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide (CID 91626453) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)c3ccc[nH]c3=O)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FNCAUHFKYJQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-10-12(2)21-18(20-11)25-14-7-5-13(6-8-14)22-17(24)15-4-3-9-19-16(15)23/h3-4,9-10,13-14H,5-8H2,1-2H3,(H,19,23)(H,22,24).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91626453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).