N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide

C13H17N5O2 — CID 106377129

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCc2ncc(C)o2)n1
InChIInChI=1S/C13H17N5O2/c1-3-4-15-11-7-14-6-10(18-11)13(19)17-8-12-16-5-9(2)20-12/h5-7H,3-4,8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyQKMYKKWTYTVZGG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.52
Rot. Bonds6

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide (PubChem CID 106377129) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide
PubChem CID106377129
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCc2ncc(C)o2)n1
InChIInChI=1S/C13H17N5O2/c1-3-4-15-11-7-14-6-10(18-11)13(19)17-8-12-16-5-9(2)20-12/h5-7H,3-4,8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyQKMYKKWTYTVZGG-UHFFFAOYSA-N
XLogP1.52
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106408660
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazine-2-carboxamide
CID 106377240
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106280160
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide
CID 106377315
N-benzyl-6-(heptylamino)pyrazine-2-carboxamide
CID 127038258
5-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 114180964
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
6-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035852
6-methyl-N-propylpyrazine-2-carboxamide
CID 54299010

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide (CID 106377129) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide is CCCNc1cncc(C(=O)NCc2ncc(C)o2)n1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide?
The InChIKey is QKMYKKWTYTVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-4-15-11-7-14-6-10(18-11)13(19)17-8-12-16-5-9(2)20-12/h5-7H,3-4,8H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 106377129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).