5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide

C23H30N4O2 — CID 109107727

IUPAC5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C23H30N4O2/c1-3-26(4-2)21-11-9-20(10-12-21)25-22(28)18-15-19(17-24-16-18)23(29)27-13-7-5-6-8-14-27/h9-12,15-17H,3-8,13-14H2,1-2H3,(H,25,28)
InChIKeyCYDJMCWHMFLKGG-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.20
Rot. Bonds6

About 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide

5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 109107727) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
PubChem CID109107727
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C23H30N4O2/c1-3-26(4-2)21-11-9-20(10-12-21)25-22(28)18-15-19(17-24-16-18)23(29)27-13-7-5-6-8-14-27/h9-12,15-17H,3-8,13-14H2,1-2H3,(H,25,28)
InChIKeyCYDJMCWHMFLKGG-UHFFFAOYSA-N
XLogP4.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.20
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-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
CID 109238896
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104739
N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102567
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240661
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
[5-[4-(diethylamino)anilino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230532
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249349
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102577
7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide
CID 169320058

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide (CID 109107727) is 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cncc(C(=O)N3CCCCCC3)c2)cc1.
What is the InChIKey of 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is CYDJMCWHMFLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-26(4-2)21-11-9-20(10-12-21)25-22(28)18-15-19(17-24-16-18)23(29)27-13-7-5-6-8-14-27/h9-12,15-17H,3-8,13-14H2,1-2H3,(H,25,28).
What are the key properties of 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109107727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).