5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide

C12H13N3O2 — CID 104578357

IUPAC5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
SMILESCOC1CC(NC(=O)c2ccc(C#N)cn2)C1
InChIInChI=1S/C12H13N3O2/c1-17-10-4-9(5-10)15-12(16)11-3-2-8(6-13)7-14-11/h2-3,7,9-10H,4-5H2,1H3,(H,15,16)
InChIKeyRBHSBALKWHKRAO-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.86
Rot. Bonds3

About 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide

5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide (PubChem CID 104578357) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
PubChem CID104578357
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
SMILESCOC1CC(NC(=O)c2ccc(C#N)cn2)C1
InChIInChI=1S/C12H13N3O2/c1-17-10-4-9(5-10)15-12(16)11-3-2-8(6-13)7-14-11/h2-3,7,9-10H,4-5H2,1H3,(H,15,16)
InChIKeyRBHSBALKWHKRAO-UHFFFAOYSA-N
XLogP0.86
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64741358
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103742322
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832
5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 82765330
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
CID 106443960
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 103829397
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide (CID 104578357) is 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide is COC1CC(NC(=O)c2ccc(C#N)cn2)C1.
What is the InChIKey of 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide?
The InChIKey is RBHSBALKWHKRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-10-4-9(5-10)15-12(16)11-3-2-8(6-13)7-14-11/h2-3,7,9-10H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide?
5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 104578357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).