N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H26N6O2 — CID 53185628

IUPACN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1nccnc1N1CCC(NC(=O)CCc2c(C)nn(C)c2C)C1
InChIInChI=1S/C18H26N6O2/c1-12-15(13(2)23(3)22-12)5-6-16(25)21-14-7-10-24(11-14)17-18(26-4)20-9-8-19-17/h8-9,14H,5-7,10-11H2,1-4H3,(H,21,25)
InChIKeyJOGFYOHJEMIHAC-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.16
Rot. Bonds6

About N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 53185628) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID53185628
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1nccnc1N1CCC(NC(=O)CCc2c(C)nn(C)c2C)C1
InChIInChI=1S/C18H26N6O2/c1-12-15(13(2)23(3)22-12)5-6-16(25)21-14-7-10-24(11-14)17-18(26-4)20-9-8-19-17/h8-9,14H,5-7,10-11H2,1-4H3,(H,21,25)
InChIKeyJOGFYOHJEMIHAC-UHFFFAOYSA-N
XLogP1.16
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 53185628) is N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1nccnc1N1CCC(NC(=O)CCc2c(C)nn(C)c2C)C1.
What is the InChIKey of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JOGFYOHJEMIHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-15(13(2)23(3)22-12)5-6-16(25)21-14-7-10-24(11-14)17-18(26-4)20-9-8-19-17/h8-9,14H,5-7,10-11H2,1-4H3,(H,21,25).
What are the key properties of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 358.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 53185628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).