4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

C18H28N4O2 — CID 109084053

IUPAC4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C18H28N4O2/c1-21(2)11-7-9-20-17(23)16-14-15(8-10-19-16)18(24)22-12-5-3-4-6-13-22/h8,10,14H,3-7,9,11-13H2,1-2H3,(H,20,23)
InChIKeyKQOWTMCTIJAROG-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.78
Rot. Bonds6

About 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109084053) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109084053
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C18H28N4O2/c1-21(2)11-7-9-20-17(23)16-14-15(8-10-19-16)18(24)22-12-5-3-4-6-13-22/h8,10,14H,3-7,9,11-13H2,1-2H3,(H,20,23)
InChIKeyKQOWTMCTIJAROG-UHFFFAOYSA-N
XLogP1.78
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
N-[2-(dimethylamino)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109083608
N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109083914
4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084059
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
N-[2-(dimethylamino)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109083588
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
N-(3-methoxypropyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081193
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109084053) is 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cc(C(=O)N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is KQOWTMCTIJAROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21(2)11-7-9-20-17(23)16-14-15(8-10-19-16)18(24)22-12-5-3-4-6-13-22/h8,10,14H,3-7,9,11-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.78, 6 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-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109084053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).