2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide

C17H25N3O2 — CID 109080128

IUPAC2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1
InChIInChI=1S/C17H25N3O2/c1-3-12(2)19-17(22)15-11-13(9-10-18-15)16(21)20-14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGGCDDSBTNBYBIT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.67
Rot. Bonds5

About 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide

2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide (PubChem CID 109080128) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
PubChem CID109080128
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1
InChIInChI=1S/C17H25N3O2/c1-3-12(2)19-17(22)15-11-13(9-10-18-15)16(21)20-14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGGCDDSBTNBYBIT-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
N-butan-2-yl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109203234
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
4-N-cyclopentyl-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109080782
4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081436
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079061

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide (CID 109080128) is 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1.
What is the InChIKey of 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide?
The InChIKey is GGCDDSBTNBYBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-12(2)19-17(22)15-11-13(9-10-18-15)16(21)20-14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide?
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).