1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C11H11N3O — CID 80599079

IUPAC1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc(NC(=O)C2(C#N)CC2)c1
InChIInChI=1S/C11H11N3O/c1-8-2-5-13-9(6-8)14-10(15)11(7-12)3-4-11/h2,5-6H,3-4H2,1H3,(H,13,14,15)
InChIKeyHBLQHXHGGQGFTO-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.63
Rot. Bonds2

About 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 80599079) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID80599079
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc(NC(=O)C2(C#N)CC2)c1
InChIInChI=1S/C11H11N3O/c1-8-2-5-13-9(6-8)14-10(15)11(7-12)3-4-11/h2,5-6H,3-4H2,1H3,(H,13,14,15)
InChIKeyHBLQHXHGGQGFTO-UHFFFAOYSA-N
XLogP1.63
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
4-methyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 63121370
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
tert-butyl 4-cyano-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 59322302
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 110439479

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 80599079) is 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ccnc(NC(=O)C2(C#N)CC2)c1.
What is the InChIKey of 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is HBLQHXHGGQGFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-2-5-13-9(6-8)14-10(15)11(7-12)3-4-11/h2,5-6H,3-4H2,1H3,(H,13,14,15).
What are the key properties of 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80599079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).