5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

C17H28N4O — CID 109185339

IUPAC5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NC2CCCCCC2)cn1
InChIInChI=1S/C17H28N4O/c1-21(2)12-11-18-17(22)16-10-9-15(13-19-16)20-14-7-5-3-4-6-8-14/h9-10,13-14,20H,3-8,11-12H2,1-2H3,(H,18,22)
InChIKeyNKWLFXINCKRWPX-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.51
Rot. Bonds6

About 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 109185339) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
PubChem CID109185339
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NC2CCCCCC2)cn1
InChIInChI=1S/C17H28N4O/c1-21(2)12-11-18-17(22)16-10-9-15(13-19-16)20-14-7-5-3-4-6-8-14/h9-10,13-14,20H,3-8,11-12H2,1-2H3,(H,18,22)
InChIKeyNKWLFXINCKRWPX-UHFFFAOYSA-N
XLogP2.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
5-(cyclopentylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180232
N-[2-(4-chlorophenyl)ethyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182393
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109193613
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (CID 109185339) is 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1ccc(NC2CCCCCC2)cn1.
What is the InChIKey of 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is NKWLFXINCKRWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-21(2)12-11-18-17(22)16-10-9-15(13-19-16)20-14-7-5-3-4-6-8-14/h9-10,13-14,20H,3-8,11-12H2,1-2H3,(H,18,22).
What are the key properties of 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109185339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).