5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C24H29N5O3 — CID 98134459

IUPAC5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)c3cc(C)c(C)[nH]c3=O)CC2)on1
InChIInChI=1S/C24H29N5O3/c1-13-9-19(24(31)27-15(13)3)23(30)26-11-17-5-7-18(8-6-17)22-20(12-25-16(4)28-22)21-10-14(2)29-32-21/h9-10,12,17-18H,5-8,11H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyGHRWQMUEODTJOT-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.76
Rot. Bonds5

About 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 98134459) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID98134459
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)c3cc(C)c(C)[nH]c3=O)CC2)on1
InChIInChI=1S/C24H29N5O3/c1-13-9-19(24(31)27-15(13)3)23(30)26-11-17-5-7-18(8-6-17)22-20(12-25-16(4)28-22)21-10-14(2)29-32-21/h9-10,12,17-18H,5-8,11H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyGHRWQMUEODTJOT-UHFFFAOYSA-N
XLogP3.76
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
CID 98134449
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 98134479
5-methoxy-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]thiophene-2-carboxamide
CID 98134493
2-cyclohexyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 98134399
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
CID 110238871
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide
CID 110238885
2-(1,1-dioxothiolan-3-yl)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 110238876
N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide
CID 98134624
5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 98134577
trans-(1S,2S)-2-methyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 98134572
N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 110238892
2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 110238906

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 98134459) is 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)c3cc(C)c(C)[nH]c3=O)CC2)on1.
What is the InChIKey of 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GHRWQMUEODTJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-13-9-19(24(31)27-15(13)3)23(30)26-11-17-5-7-18(8-6-17)22-20(12-25-16(4)28-22)21-10-14(2)29-32-21/h9-10,12,17-18H,5-8,11H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 98134459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).