3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide

C22H27N3O2 — CID 109107040

IUPAC3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCCN(C(=O)c1cncc(C(=O)NC2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-25(20-12-8-5-9-13-20)22(27)18-14-17(15-23-16-18)21(26)24-19-10-6-3-4-7-11-19/h5,8-9,12-16,19H,2-4,6-7,10-11H2,1H3,(H,24,26)
InChIKeyOYOFZGPXDYBWFA-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.20
Rot. Bonds5

About 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide

3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide (PubChem CID 109107040) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
PubChem CID109107040
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCCN(C(=O)c1cncc(C(=O)NC2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-25(20-12-8-5-9-13-20)22(27)18-14-17(15-23-16-18)21(26)24-19-10-6-3-4-7-11-19/h5,8-9,12-16,19H,2-4,6-7,10-11H2,1H3,(H,24,26)
InChIKeyOYOFZGPXDYBWFA-UHFFFAOYSA-N
XLogP4.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109052208
3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106512
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
N-cyclopentyl-5-(diethylamino)pyridine-3-carboxamide
CID 109225943
5-N-cyclohexyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109103063
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
N-cyclohexyl-5-(dipropylamino)pyridine-3-carboxamide
CID 109226706
5-N-cyclohexyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109103083
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide (CID 109107040) is 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide is CCN(C(=O)c1cncc(C(=O)NC2CCCCCC2)c1)c1ccccc1.
What is the InChIKey of 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide?
The InChIKey is OYOFZGPXDYBWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-25(20-12-8-5-9-13-20)22(27)18-14-17(15-23-16-18)21(26)24-19-10-6-3-4-7-11-19/h5,8-9,12-16,19H,2-4,6-7,10-11H2,1H3,(H,24,26).
What are the key properties of 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide?
3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).