4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide

C21H25N3O3 — CID 109080807

IUPAC4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(C(=O)NC3CCCC3)ccn2)cc1
InChIInChI=1S/C21H25N3O3/c1-14(2)27-18-9-7-17(8-10-18)24-21(26)19-13-15(11-12-22-19)20(25)23-16-5-3-4-6-16/h7-14,16H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQKBCZYRIQGMYLU-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.79
Rot. Bonds6

About 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide

4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109080807) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109080807
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(C(=O)NC3CCCC3)ccn2)cc1
InChIInChI=1S/C21H25N3O3/c1-14(2)27-18-9-7-17(8-10-18)24-21(26)19-13-15(11-12-22-19)20(25)23-16-5-3-4-6-16/h7-14,16H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQKBCZYRIQGMYLU-UHFFFAOYSA-N
XLogP3.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217095
4-N-cyclohexyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109081429
2-N-(2-methoxyethyl)-4-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109082428
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814
4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109083962
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
2-N-(2-fluorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109092654
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078522
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide (CID 109080807) is 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide is CC(C)Oc1ccc(NC(=O)c2cc(C(=O)NC3CCCC3)ccn2)cc1.
What is the InChIKey of 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is QKBCZYRIQGMYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(2)27-18-9-7-17(8-10-18)24-21(26)19-13-15(11-12-22-19)20(25)23-16-5-3-4-6-16/h7-14,16H,3-6H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide?
4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).