N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H26N6O3 — CID 72885927

IUPACN,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cccc(=O)n1CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C19H26N6O3/c1-14-5-4-6-18(27)24(14)8-7-17(26)20-12-15-11-16-13-23(19(28)22(2)3)9-10-25(16)21-15/h4-6,11H,7-10,12-13H2,1-3H3,(H,20,26)
InChIKeyPXLAHRMENVBVNF-UHFFFAOYSA-N
MW386.46 g/mol
LogP0.56
Rot. Bonds5

About N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 72885927) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID72885927
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cccc(=O)n1CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C19H26N6O3/c1-14-5-4-6-18(27)24(14)8-7-17(26)20-12-15-11-16-13-23(19(28)22(2)3)9-10-25(16)21-15/h4-6,11H,7-10,12-13H2,1-3H3,(H,20,26)
InChIKeyPXLAHRMENVBVNF-UHFFFAOYSA-N
XLogP0.56
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 72885927) is N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is Cc1cccc(=O)n1CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is PXLAHRMENVBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-14-5-4-6-18(27)24(14)8-7-17(26)20-12-15-11-16-13-23(19(28)22(2)3)9-10-25(16)21-15/h4-6,11H,7-10,12-13H2,1-3H3,(H,20,26).
What are the key properties of N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 72885927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).