2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C20H22N6O3 — CID 90403290

IUPAC2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1cn(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)C)nc3C)ccn2)cn1
InChIInChI=1S/C20H22N6O3/c1-12(2)19(27)25-20(28)24-17-6-5-16(14(4)23-17)29-15-7-8-21-18(9-15)26-10-13(3)22-11-26/h5-12H,1-4H3,(H2,23,24,25,27,28)
InChIKeyKSPXNHRXBOCKPK-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.38
Rot. Bonds5

About 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 90403290) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID90403290
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1cn(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)C)nc3C)ccn2)cn1
InChIInChI=1S/C20H22N6O3/c1-12(2)19(27)25-20(28)24-17-6-5-16(14(4)23-17)29-15-7-8-21-18(9-15)26-10-13(3)22-11-26/h5-12H,1-4H3,(H2,23,24,25,27,28)
InChIKeyKSPXNHRXBOCKPK-UHFFFAOYSA-N
XLogP3.38
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 90403290) is 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is Cc1cn(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)C)nc3C)ccn2)cn1.
What is the InChIKey of 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is KSPXNHRXBOCKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12(2)19(27)25-20(28)24-17-6-5-16(14(4)23-17)29-15-7-8-21-18(9-15)26-10-13(3)22-11-26/h5-12H,1-4H3,(H2,23,24,25,27,28).
What are the key properties of 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 394.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 90403290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).