5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide

C18H27N3O2 — CID 109102356

IUPAC5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-3-13(2)20-17(22)14-10-15(12-19-11-14)18(23)21-16-8-6-4-5-7-9-16/h10-13,16H,3-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZSSNQRDMDHRAHK-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.06
Rot. Bonds5

About 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide

5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide (PubChem CID 109102356) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
PubChem CID109102356
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-3-13(2)20-17(22)14-10-15(12-19-11-14)18(23)21-16-8-6-4-5-7-9-16/h10-13,16H,3-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZSSNQRDMDHRAHK-UHFFFAOYSA-N
XLogP3.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109102342
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730
N-cycloheptyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102544
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
N-cyclopentyl-5-(diethylamino)pyridine-3-carboxamide
CID 109225943

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide (CID 109102356) is 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide is CCC(C)NC(=O)c1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide?
The InChIKey is ZSSNQRDMDHRAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-13(2)20-17(22)14-10-15(12-19-11-14)18(23)21-16-8-6-4-5-7-9-16/h10-13,16H,3-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide?
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).