N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide

C12H15N3O2 — CID 63284776

IUPACN-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCCC#N
InChIInChI=1S/C12H15N3O2/c1-17-12-10(6-5-9-15-12)11(16)14-8-4-2-3-7-13/h5-6,9H,2-4,8H2,1H3,(H,14,16)
InChIKeyMSJHYKFGQQEYBU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.51
Rot. Bonds6

About N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide

N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide (PubChem CID 63284776) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
PubChem CID63284776
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCCC#N
InChIInChI=1S/C12H15N3O2/c1-17-12-10(6-5-9-15-12)11(16)14-8-4-2-3-7-13/h5-6,9H,2-4,8H2,1H3,(H,14,16)
InChIKeyMSJHYKFGQQEYBU-UHFFFAOYSA-N
XLogP1.51
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.51
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

N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
N-(4-cyanobutyl)-2-methylsulfanylbenzamide
CID 78929278
N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide
CID 60966818
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
CID 52807858
2-methoxy-N-(3-piperidin-4-yloxypropyl)pyridine-3-carboxamide
CID 63869445
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide (CID 63284776) is N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCCCCC#N.
What is the InChIKey of N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is MSJHYKFGQQEYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-12-10(6-5-9-15-12)11(16)14-8-4-2-3-7-13/h5-6,9H,2-4,8H2,1H3,(H,14,16).
What are the key properties of N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide?
N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 63284776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).