2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide

C23H26N6O3 — CID 146376054

IUPAC2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(OCC(C)(C)C(N)=O)c(C)c3)n2)cn1
InChIInChI=1S/C23H26N6O3/c1-14-9-16(6-8-19(14)32-13-23(3,4)21(24)30)18-11-25-12-20(28-18)29-22(31)27-17-7-5-15(2)26-10-17/h5-12H,13H2,1-4H3,(H2,24,30)(H2,27,28,29,31)
InChIKeyJRGZTWZQTGTEPG-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.69
Rot. Bonds7

About 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide

2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide (PubChem CID 146376054) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide
PubChem CID146376054
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(OCC(C)(C)C(N)=O)c(C)c3)n2)cn1
InChIInChI=1S/C23H26N6O3/c1-14-9-16(6-8-19(14)32-13-23(3,4)21(24)30)18-11-25-12-20(28-18)29-22(31)27-17-7-5-15(2)26-10-17/h5-12H,13H2,1-4H3,(H2,24,30)(H2,27,28,29,31)
InChIKeyJRGZTWZQTGTEPG-UHFFFAOYSA-N
XLogP3.69
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide?
The IUPAC name of 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide (CID 146376054) is 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide is Cc1ccc(NC(=O)Nc2cncc(-c3ccc(OCC(C)(C)C(N)=O)c(C)c3)n2)cn1.
What is the InChIKey of 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide?
The InChIKey is JRGZTWZQTGTEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-14-9-16(6-8-19(14)32-13-23(3,4)21(24)30)18-11-25-12-20(28-18)29-22(31)27-17-7-5-15(2)26-10-17/h5-12H,13H2,1-4H3,(H2,24,30)(H2,27,28,29,31).
What are the key properties of 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide?
2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide has a molecular weight of 434.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide is sourced from PubChem (CID 146376054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).