6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide

C21H28N4O — CID 109161046

IUPAC6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(NC3CCCCCC3)nc2)cc1
InChIInChI=1S/C21H28N4O/c1-25(2)19-12-10-18(11-13-19)24-21(26)16-9-14-20(22-15-16)23-17-7-5-3-4-6-8-17/h9-15,17H,3-8H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyZLUFALXUUMWWEH-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.53
Rot. Bonds5

About 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide

6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 109161046) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
PubChem CID109161046
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(NC3CCCCCC3)nc2)cc1
InChIInChI=1S/C21H28N4O/c1-25(2)19-12-10-18(11-13-19)24-21(26)16-9-14-20(22-15-16)23-17-7-5-3-4-6-8-17/h9-15,17H,3-8H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyZLUFALXUUMWWEH-UHFFFAOYSA-N
XLogP4.53
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[6-(cycloheptylamino)pyridine-3-carbonyl]amino]benzoate
CID 109161045
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
6-(cyclopropylamino)-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84570944
5-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109226211
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (CID 109161046) is 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(NC3CCCCCC3)nc2)cc1.
What is the InChIKey of 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is ZLUFALXUUMWWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-25(2)19-12-10-18(11-13-19)24-21(26)16-9-14-20(22-15-16)23-17-7-5-3-4-6-8-17/h9-15,17H,3-8H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109161046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).