4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

C21H26N4O2 — CID 109090699

IUPAC4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(C(=O)N3CCCCCC3)ccn2)cc1
InChIInChI=1S/C21H26N4O2/c1-24(2)18-9-7-17(8-10-18)23-20(26)19-15-16(11-12-22-19)21(27)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyZDEFWISBKCWAIZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.42
Rot. Bonds4

About 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109090699) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109090699
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(C(=O)N3CCCCCC3)ccn2)cc1
InChIInChI=1S/C21H26N4O2/c1-24(2)18-9-7-17(8-10-18)23-20(26)19-15-16(11-12-22-19)21(27)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyZDEFWISBKCWAIZ-UHFFFAOYSA-N
XLogP3.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
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

N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081771
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
methyl 4-[[4-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109090698
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090190
3-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 109056729
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109091571
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 109090699) is 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cc(C(=O)N3CCCCCC3)ccn2)cc1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is ZDEFWISBKCWAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(2)18-9-7-17(8-10-18)23-20(26)19-15-16(11-12-22-19)21(27)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109090699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).