4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide

C12H15N5O — CID 136548844

IUPAC4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide
SMILESCc1cc(N2CCNC(C(N)=O)C2)c(C#N)cn1
InChIInChI=1S/C12H15N5O/c1-8-4-11(9(5-13)6-16-8)17-3-2-15-10(7-17)12(14)18/h4,6,10,15H,2-3,7H2,1H3,(H2,14,18)
InChIKeyAYSJOLSDAFFRNB-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.47
Rot. Bonds2

About 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide

4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide (PubChem CID 136548844) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide
PubChem CID136548844
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide
SMILESCc1cc(N2CCNC(C(N)=O)C2)c(C#N)cn1
InChIInChI=1S/C12H15N5O/c1-8-4-11(9(5-13)6-16-8)17-3-2-15-10(7-17)12(14)18/h4,6,10,15H,2-3,7H2,1H3,(H2,14,18)
InChIKeyAYSJOLSDAFFRNB-UHFFFAOYSA-N
XLogP-0.47
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide?
The IUPAC name of 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide (CID 136548844) is 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide is Cc1cc(N2CCNC(C(N)=O)C2)c(C#N)cn1.
What is the InChIKey of 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide?
The InChIKey is AYSJOLSDAFFRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-4-11(9(5-13)6-16-8)17-3-2-15-10(7-17)12(14)18/h4,6,10,15H,2-3,7H2,1H3,(H2,14,18).
What are the key properties of 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide?
4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide is sourced from PubChem (CID 136548844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).