5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide

C21H27N3O — CID 109195372

IUPAC5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(NC2CCCCCC2)cn1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-2-24(19-12-8-5-9-13-19)21(25)20-15-14-18(16-22-20)23-17-10-6-3-4-7-11-17/h5,8-9,12-17,23H,2-4,6-7,10-11H2,1H3
InChIKeyQVAGXWRRFBCIOG-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.88
Rot. Bonds5

About 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide

5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide (PubChem CID 109195372) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
PubChem CID109195372
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(NC2CCCCCC2)cn1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-2-24(19-12-8-5-9-13-19)21(25)20-15-14-18(16-22-20)23-17-10-6-3-4-7-11-17/h5,8-9,12-17,23H,2-4,6-7,10-11H2,1H3
InChIKeyQVAGXWRRFBCIOG-UHFFFAOYSA-N
XLogP4.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
N-benzyl-5-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195349
N-ethyl-N-phenyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189023
N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide
CID 109195842
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198507
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198518
5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198506
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185339

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide (CID 109195372) is 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide is CCN(C(=O)c1ccc(NC2CCCCCC2)cn1)c1ccccc1.
What is the InChIKey of 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The InChIKey is QVAGXWRRFBCIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-24(19-12-8-5-9-13-19)21(25)20-15-14-18(16-22-20)23-17-10-6-3-4-7-11-17/h5,8-9,12-17,23H,2-4,6-7,10-11H2,1H3.
What are the key properties of 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide?
5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109195372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).