2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C22H23N5O3 — CID 86269282

IUPAC2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1ccc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)cn1
InChIInChI=1S/C22H23N5O3/c1-14-5-6-15(12-24-14)18-11-16(9-10-23-18)30-17-7-8-19(25-13-17)26-21(29)27-20(28)22(2,3)4/h5-13H,1-4H3,(H2,25,26,27,28,29)
InChIKeyBSODMZFPWQTRAC-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.33
Rot. Bonds4

About 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 86269282) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID86269282
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1ccc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)cn1
InChIInChI=1S/C22H23N5O3/c1-14-5-6-15(12-24-14)18-11-16(9-10-23-18)30-17-7-8-19(25-13-17)26-21(29)27-20(28)22(2,3)4/h5-13H,1-4H3,(H2,25,26,27,28,29)
InChIKeyBSODMZFPWQTRAC-UHFFFAOYSA-N
XLogP4.33
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 86269282) is 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is Cc1ccc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)cn1.
What is the InChIKey of 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is BSODMZFPWQTRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14-5-6-15(12-24-14)18-11-16(9-10-23-18)30-17-7-8-19(25-13-17)26-21(29)27-20(28)22(2,3)4/h5-13H,1-4H3,(H2,25,26,27,28,29).
What are the key properties of 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 405.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 86269282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).