4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide

C20H19ClN4O3 — CID 167088262

IUPAC4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccn1
InChIInChI=1S/C20H19ClN4O3/c21-13-3-6-17-15(10-13)25-20(28-17)11-1-4-14(5-2-11)24-19(27)12-7-8-23-16(9-12)18(22)26/h3,6-11,14H,1-2,4-5H2,(H2,22,26)(H,24,27)
InChIKeyHFHVTPYTOKRIPG-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.43
Rot. Bonds4

About 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide

4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide (PubChem CID 167088262) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide
PubChem CID167088262
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccn1
InChIInChI=1S/C20H19ClN4O3/c21-13-3-6-17-15(10-13)25-20(28-17)11-1-4-14(5-2-11)24-19(27)12-7-8-23-16(9-12)18(22)26/h3,6-11,14H,1-2,4-5H2,(H2,22,26)(H,24,27)
InChIKeyHFHVTPYTOKRIPG-UHFFFAOYSA-N
XLogP3.43
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167088173
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide
CID 167088167
methyl 4-[[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]carbamoyl]pyridine-2-carboxylate
CID 163378961
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide
CID 167088226
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60512011
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-5-(propanoylsulfamoyl)furan-2-carboxamide
CID 170202871
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide
CID 167081487
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 167081505
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
4-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutanamide
CID 155937605
2-acetyl-N-[6-(1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]pyridine-4-carboxamide
CID 170201700
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-N-methyl-2-methylsulfonylpyridine-4-carboxamide
CID 167088204

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide (CID 167088262) is 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide is NC(=O)c1cc(C(=O)NC2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccn1.
What is the InChIKey of 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide?
The InChIKey is HFHVTPYTOKRIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-13-3-6-17-15(10-13)25-20(28-17)11-1-4-14(5-2-11)24-19(27)12-7-8-23-16(9-12)18(22)26/h3,6-11,14H,1-2,4-5H2,(H2,22,26)(H,24,27).
What are the key properties of 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide?
4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 167088262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).