1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide

C14H16N4O — CID 171327976

IUPAC1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
SMILESCc1ccc(C#N)c(N2CC(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C14H16N4O/c1-9-2-3-10(6-15)13(16-9)18-7-11(8-18)14(19)17-12-4-5-12/h2-3,11-12H,4-5,7-8H2,1H3,(H,17,19)
InChIKeyCUIRDXVEESOBAU-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.98
Rot. Bonds3

About 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide

1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide (PubChem CID 171327976) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
PubChem CID171327976
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
SMILESCc1ccc(C#N)c(N2CC(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C14H16N4O/c1-9-2-3-10(6-15)13(16-9)18-7-11(8-18)14(19)17-12-4-5-12/h2-3,11-12H,4-5,7-8H2,1H3,(H,17,19)
InChIKeyCUIRDXVEESOBAU-UHFFFAOYSA-N
XLogP0.98
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide?
The IUPAC name of 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide (CID 171327976) is 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide.
What is the SMILES notation for 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide?
The canonical SMILES for 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide is Cc1ccc(C#N)c(N2CC(C(=O)NC3CC3)C2)n1.
What is the InChIKey of 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide?
The InChIKey is CUIRDXVEESOBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-2-3-10(6-15)13(16-9)18-7-11(8-18)14(19)17-12-4-5-12/h2-3,11-12H,4-5,7-8H2,1H3,(H,17,19).
What are the key properties of 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide?
1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide is sourced from PubChem (CID 171327976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).