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

C23H31N7O4 — CID 86275152

IUPACN-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)CC1
InChIInChI=1S/C23H31N7O4/c1-5-29-10-12-30(13-11-29)22(33)27-19-14-16(8-9-24-19)34-17-6-7-18(25-15-17)26-21(32)28-20(31)23(2,3)4/h6-9,14-15H,5,10-13H2,1-4H3,(H,24,27,33)(H2,25,26,28,31,32)
InChIKeyARGRNNVJFPQWAJ-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.13
Rot. Bonds5

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

N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 86275152) has the molecular formula C23H31N7O4 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
PubChem CID86275152
Molecular FormulaC23H31N7O4
Molecular Weight469.55 g/mol
Exact Mass469.24
IUPAC NameN-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)CC1
InChIInChI=1S/C23H31N7O4/c1-5-29-10-12-30(13-11-29)22(33)27-19-14-16(8-9-24-19)34-17-6-7-18(25-15-17)26-21(32)28-20(31)23(2,3)4/h6-9,14-15H,5,10-13H2,1-4H3,(H,24,27,33)(H2,25,26,28,31,32)
InChIKeyARGRNNVJFPQWAJ-UHFFFAOYSA-N
XLogP3.13
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide (CID 86275152) is N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)Nc2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)CC1.
What is the InChIKey of N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is ARGRNNVJFPQWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O4/c1-5-29-10-12-30(13-11-29)22(33)27-19-14-16(8-9-24-19)34-17-6-7-18(25-15-17)26-21(32)28-20(31)23(2,3)4/h6-9,14-15H,5,10-13H2,1-4H3,(H,24,27,33)(H2,25,26,28,31,32).
What are the key properties of N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide?
N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 86275152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).