N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide

C22H21N5O3 — CID 59394382

IUPACN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)ccn1
InChIInChI=1S/C22H21N5O3/c1-23-13-16-11-18(6-8-24-16)29-17-4-5-19-15(10-17)7-9-27(19)22(28)25-21-12-20(30-26-21)14-2-3-14/h4-12,14,23H,2-3,13H2,1H3,(H,25,26,28)
InChIKeyVUTPCHXFYYQRSL-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.49
Rot. Bonds6

About N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide

N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 59394382) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
PubChem CID59394382
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)ccn1
InChIInChI=1S/C22H21N5O3/c1-23-13-16-11-18(6-8-24-16)29-17-4-5-19-15(10-17)7-9-27(19)22(28)25-21-12-20(30-26-21)14-2-3-14/h4-12,14,23H,2-3,13H2,1H3,(H,25,26,28)
InChIKeyVUTPCHXFYYQRSL-UHFFFAOYSA-N
XLogP4.49
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide (CID 59394382) is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)ccn1.
What is the InChIKey of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is VUTPCHXFYYQRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-23-13-16-11-18(6-8-24-16)29-17-4-5-19-15(10-17)7-9-27(19)22(28)25-21-12-20(30-26-21)14-2-3-14/h4-12,14,23H,2-3,13H2,1H3,(H,25,26,28).
What are the key properties of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide?
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 59394382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).