2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide

C21H25N3O2 — CID 109089442

IUPAC2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-8-6-7-11-18(15)24-20(25)16-12-13-22-19(14-16)21(26)23-17-9-4-2-3-5-10-17/h6-8,11-14,17H,2-5,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyBLLGLXZWFUZIPI-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.09
Rot. Bonds4

About 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide

2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089442) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109089442
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-8-6-7-11-18(15)24-20(25)16-12-13-22-19(14-16)21(26)23-17-9-4-2-3-5-10-17/h6-8,11-14,17H,2-5,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyBLLGLXZWFUZIPI-UHFFFAOYSA-N
XLogP4.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-cycloheptyl-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089379
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
2-N-cyclohexyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081583
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080959
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109081013
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070
4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081436
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide (CID 109089442) is 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide is Cc1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is BLLGLXZWFUZIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-6-7-11-18(15)24-20(25)16-12-13-22-19(14-16)21(26)23-17-9-4-2-3-5-10-17/h6-8,11-14,17H,2-5,9-10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).