N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

C18H26N4O3 — CID 42783089

IUPACN-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CC(C)OC(C)C2)C2CC2)cn1
InChIInChI=1S/C18H26N4O3/c1-12-8-20-16(9-19-12)18(24)22(15-4-5-15)7-6-17(23)21-10-13(2)25-14(3)11-21/h8-9,13-15H,4-7,10-11H2,1-3H3
InChIKeyPSVAUCJBFRQULT-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.42
Rot. Bonds5

About N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (PubChem CID 42783089) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
PubChem CID42783089
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CC(C)OC(C)C2)C2CC2)cn1
InChIInChI=1S/C18H26N4O3/c1-12-8-20-16(9-19-12)18(24)22(15-4-5-15)7-6-17(23)21-10-13(2)25-14(3)11-21/h8-9,13-15H,4-7,10-11H2,1-3H3
InChIKeyPSVAUCJBFRQULT-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (CID 42783089) is N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)N2CC(C)OC(C)C2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is PSVAUCJBFRQULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-8-20-16(9-19-12)18(24)22(15-4-5-15)7-6-17(23)21-10-13(2)25-14(3)11-21/h8-9,13-15H,4-7,10-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 42783089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).