5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide

C21H20N4O3 — CID 58930818

IUPAC5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
SMILESO=C(Nc1cc(Oc2ccc3c(ccn3C(=O)NC3CC3)c2)ccn1)C1CC1
InChIInChI=1S/C21H20N4O3/c26-20(13-1-2-13)24-19-12-17(7-9-22-19)28-16-5-6-18-14(11-16)8-10-25(18)21(27)23-15-3-4-15/h5-13,15H,1-4H2,(H,23,27)(H,22,24,26)
InChIKeyWRTFDZXVXSDERE-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.90
Rot. Bonds5

About 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide

5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide (PubChem CID 58930818) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
PubChem CID58930818
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
SMILESO=C(Nc1cc(Oc2ccc3c(ccn3C(=O)NC3CC3)c2)ccn1)C1CC1
InChIInChI=1S/C21H20N4O3/c26-20(13-1-2-13)24-19-12-17(7-9-22-19)28-16-5-6-18-14(11-16)8-10-25(18)21(27)23-15-3-4-15/h5-13,15H,1-4H2,(H,23,27)(H,22,24,26)
InChIKeyWRTFDZXVXSDERE-UHFFFAOYSA-N
XLogP3.90
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide?
The IUPAC name of 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide (CID 58930818) is 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide?
The canonical SMILES for 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide is O=C(Nc1cc(Oc2ccc3c(ccn3C(=O)NC3CC3)c2)ccn1)C1CC1.
What is the InChIKey of 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide?
The InChIKey is WRTFDZXVXSDERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(13-1-2-13)24-19-12-17(7-9-22-19)28-16-5-6-18-14(11-16)8-10-25(18)21(27)23-15-3-4-15/h5-13,15H,1-4H2,(H,23,27)(H,22,24,26).
What are the key properties of 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide?
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide is sourced from PubChem (CID 58930818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).