4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

C23H30N6O4 — CID 86275147

IUPAC4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)CC1
InChIInChI=1S/C23H30N6O4/c1-23(2,3)21(31)28-22(32)27-19-6-5-17(14-25-19)33-16-7-10-24-18(13-16)20(30)26-15-8-11-29(4)12-9-15/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,26,30)(H2,25,27,28,31,32)
InChIKeyOZLSDMDJVXZSKF-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.79
Rot. Bonds5

About 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 86275147) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID86275147
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)CC1
InChIInChI=1S/C23H30N6O4/c1-23(2,3)21(31)28-22(32)27-19-6-5-17(14-25-19)33-16-7-10-24-18(13-16)20(30)26-15-8-11-29(4)12-9-15/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,26,30)(H2,25,27,28,31,32)
InChIKeyOZLSDMDJVXZSKF-UHFFFAOYSA-N
XLogP2.79
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (CID 86275147) is 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is CN1CCC(NC(=O)c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)CC1.
What is the InChIKey of 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is OZLSDMDJVXZSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-23(2,3)21(31)28-22(32)27-19-6-5-17(14-25-19)33-16-7-10-24-18(13-16)20(30)26-15-8-11-29(4)12-9-15/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,26,30)(H2,25,27,28,31,32).
What are the key properties of 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 86275147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).