N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide

C14H23N5O2 — CID 106280160

IUPACN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCC(C)(C)C(=O)NC)n1
InChIInChI=1S/C14H23N5O2/c1-5-6-17-11-8-16-7-10(19-11)12(20)18-9-14(2,3)13(21)15-4/h7-8H,5-6,9H2,1-4H3,(H,15,21)(H,17,19)(H,18,20)
InChIKeyNKQPCPLKCLBQDL-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.80
Rot. Bonds7

About N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide (PubChem CID 106280160) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
PubChem CID106280160
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCC(C)(C)C(=O)NC)n1
InChIInChI=1S/C14H23N5O2/c1-5-6-17-11-8-16-7-10(19-11)12(20)18-9-14(2,3)13(21)15-4/h7-8H,5-6,9H2,1-4H3,(H,15,21)(H,17,19)(H,18,20)
InChIKeyNKQPCPLKCLBQDL-UHFFFAOYSA-N
XLogP0.80
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106377129
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106408660
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide
CID 103824821
3-[(6-hydrazinylpyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106280881
6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-hydrazinylpyrazine-2-carboxamide
CID 106280282
N-benzyl-6-(heptylamino)pyrazine-2-carboxamide
CID 127038258
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
CID 114036099
6-methyl-N-propylpyrazine-2-carboxamide
CID 54299010

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide (CID 106280160) is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide is CCCNc1cncc(C(=O)NCC(C)(C)C(=O)NC)n1.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide?
The InChIKey is NKQPCPLKCLBQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-6-17-11-8-16-7-10(19-11)12(20)18-9-14(2,3)13(21)15-4/h7-8H,5-6,9H2,1-4H3,(H,15,21)(H,17,19)(H,18,20).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide?
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 106280160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).