1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide

C12H13N3O — CID 78995050

IUPAC1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1cnccc1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C12H13N3O/c1-9-7-14-6-3-10(9)15-11(16)12(8-13)4-2-5-12/h3,6-7H,2,4-5H2,1H3,(H,14,15,16)
InChIKeyFBTGSRDUPDDEBW-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.02
Rot. Bonds2

About 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide

1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide (PubChem CID 78995050) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
PubChem CID78995050
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1cnccc1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C12H13N3O/c1-9-7-14-6-3-10(9)15-11(16)12(8-13)4-2-5-12/h3,6-7H,2,4-5H2,1H3,(H,14,15,16)
InChIKeyFBTGSRDUPDDEBW-UHFFFAOYSA-N
XLogP2.02
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327364
1-carbamothioyl-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 80591376
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 142640688
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
CID 78994872
1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 78994363
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide (CID 78995050) is 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide is Cc1cnccc1NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide?
The InChIKey is FBTGSRDUPDDEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-7-14-6-3-10(9)15-11(16)12(8-13)4-2-5-12/h3,6-7H,2,4-5H2,1H3,(H,14,15,16).
What are the key properties of 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide?
1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78995050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).