N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide

C21H26N6O5 — CID 86274671

IUPACN-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide
SMILESCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CCOCC3)nc2)ccn1
InChIInChI=1S/C21H26N6O5/c1-21(7-10-31-11-8-21)18(28)26-19(29)24-16-5-4-15(13-23-16)32-14-6-9-22-17(12-14)25-20(30)27(2)3/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,22,25,30)(H2,23,24,26,28,29)
InChIKeyKCDOYKJPEFVFCQ-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.83
Rot. Bonds5

About N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide

N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide (PubChem CID 86274671) has the molecular formula C21H26N6O5 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide
PubChem CID86274671
Molecular FormulaC21H26N6O5
Molecular Weight442.48 g/mol
Exact Mass442.20
IUPAC NameN-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide
SMILESCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CCOCC3)nc2)ccn1
InChIInChI=1S/C21H26N6O5/c1-21(7-10-31-11-8-21)18(28)26-19(29)24-16-5-4-15(13-23-16)32-14-6-9-22-17(12-14)25-20(30)27(2)3/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,22,25,30)(H2,23,24,26,28,29)
InChIKeyKCDOYKJPEFVFCQ-UHFFFAOYSA-N
XLogP2.83
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide?
The IUPAC name of N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide (CID 86274671) is N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide.
What is the SMILES notation for N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide?
The canonical SMILES for N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide is CN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CCOCC3)nc2)ccn1.
What is the InChIKey of N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide?
The InChIKey is KCDOYKJPEFVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O5/c1-21(7-10-31-11-8-21)18(28)26-19(29)24-16-5-4-15(13-23-16)32-14-6-9-22-17(12-14)25-20(30)27(2)3/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,22,25,30)(H2,23,24,26,28,29).
What are the key properties of N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide?
N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-4-methyloxane-4-carboxamide is sourced from PubChem (CID 86274671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).