5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide

C13H15N3O2 — CID 113362666

IUPAC5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc(C#N)cn2)CCC1
InChIInChI=1S/C13H15N3O2/c1-18-13(5-2-6-13)9-16-12(17)11-4-3-10(7-14)8-15-11/h3-4,8H,2,5-6,9H2,1H3,(H,16,17)
InChIKeyGQRREVYSLSWMGP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.25
Rot. Bonds4

About 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide

5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide (PubChem CID 113362666) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
PubChem CID113362666
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc(C#N)cn2)CCC1
InChIInChI=1S/C13H15N3O2/c1-18-13(5-2-6-13)9-16-12(17)11-4-3-10(7-14)8-15-11/h3-4,8H,2,5-6,9H2,1H3,(H,16,17)
InChIKeyGQRREVYSLSWMGP-UHFFFAOYSA-N
XLogP1.25
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103742429
5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103762122
5-cyano-N-[(2-methylthiolan-2-yl)methyl]pyridine-2-carboxamide
CID 80528714
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
CID 103877415
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 103829397

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide (CID 113362666) is 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide is COC1(CNC(=O)c2ccc(C#N)cn2)CCC1.
What is the InChIKey of 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide?
The InChIKey is GQRREVYSLSWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-13(5-2-6-13)9-16-12(17)11-4-3-10(7-14)8-15-11/h3-4,8H,2,5-6,9H2,1H3,(H,16,17).
What are the key properties of 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide?
5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113362666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).