4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide

C22H29N3O — CID 109212597

IUPAC4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C22H29N3O/c1-2-25(17-18-10-6-5-7-11-18)20-14-15-23-21(16-20)22(26)24-19-12-8-3-4-9-13-19/h5-7,10-11,14-16,19H,2-4,8-9,12-13,17H2,1H3,(H,24,26)
InChIKeyLNKZUNHTGQCIFK-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.56
Rot. Bonds6

About 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide

4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide (PubChem CID 109212597) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
PubChem CID109212597
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C22H29N3O/c1-2-25(17-18-10-6-5-7-11-18)20-14-15-23-21(16-20)22(26)24-19-12-8-3-4-9-13-19/h5-7,10-11,14-16,19H,2-4,8-9,12-13,17H2,1H3,(H,24,26)
InChIKeyLNKZUNHTGQCIFK-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
CID 109081382
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide (CID 109212597) is 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccnc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide?
The InChIKey is LNKZUNHTGQCIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-25(17-18-10-6-5-7-11-18)20-14-15-23-21(16-20)22(26)24-19-12-8-3-4-9-13-19/h5-7,10-11,14-16,19H,2-4,8-9,12-13,17H2,1H3,(H,24,26).
What are the key properties of 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide?
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide is sourced from PubChem (CID 109212597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).