4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide

C13H19N5O2 — CID 133313833

IUPAC4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccnc(C(N)=O)c2)CC1
InChIInChI=1S/C13H19N5O2/c1-16(2)13(20)18-7-5-17(6-8-18)10-3-4-15-11(9-10)12(14)19/h3-4,9H,5-8H2,1-2H3,(H2,14,19)
InChIKeyJCFYLGZTUJJSNT-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.02
Rot. Bonds2

About 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide

4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 133313833) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID133313833
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccnc(C(N)=O)c2)CC1
InChIInChI=1S/C13H19N5O2/c1-16(2)13(20)18-7-5-17(6-8-18)10-3-4-15-11(9-10)12(14)19/h3-4,9H,5-8H2,1-2H3,(H2,14,19)
InChIKeyJCFYLGZTUJJSNT-UHFFFAOYSA-N
XLogP-0.02
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide (CID 133313833) is 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2ccnc(C(N)=O)c2)CC1.
What is the InChIKey of 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is JCFYLGZTUJJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-16(2)13(20)18-7-5-17(6-8-18)10-3-4-15-11(9-10)12(14)19/h3-4,9H,5-8H2,1-2H3,(H2,14,19).
What are the key properties of 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 133313833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).