4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide

C17H27N3O — CID 109217503

IUPAC4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C17H27N3O/c1-2-3-6-10-19-17(21)16-14-15(9-11-18-16)20-12-7-4-5-8-13-20/h9,11,14H,2-8,10,12-13H2,1H3,(H,19,21)
InChIKeyREBOZYAHBOPADZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds6

About 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide

4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide (PubChem CID 109217503) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
PubChem CID109217503
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C17H27N3O/c1-2-3-6-10-19-17(21)16-14-15(9-11-18-16)20-12-7-4-5-8-13-20/h9,11,14H,2-8,10,12-13H2,1H3,(H,19,21)
InChIKeyREBOZYAHBOPADZ-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylpyridine-2-carboxamide
CID 109213863
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide (CID 109217503) is 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide?
The InChIKey is REBOZYAHBOPADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-3-6-10-19-17(21)16-14-15(9-11-18-16)20-12-7-4-5-8-13-20/h9,11,14H,2-8,10,12-13H2,1H3,(H,19,21).
What are the key properties of 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide?
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109217503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).