N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide

C20H20FN3O2 — CID 67289964

IUPACN-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccc(OCC2CC2)cn1
InChIInChI=1S/C20H20FN3O2/c1-12(17-7-6-16(10-22-17)26-11-13-2-3-13)23-20(25)19-8-14-4-5-15(21)9-18(14)24-19/h4-10,12-13,24H,2-3,11H2,1H3,(H,23,25)
InChIKeyJGPYDRRBHXYJCX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.98
Rot. Bonds6

About N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide

N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide (PubChem CID 67289964) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide
PubChem CID67289964
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccc(OCC2CC2)cn1
InChIInChI=1S/C20H20FN3O2/c1-12(17-7-6-16(10-22-17)26-11-13-2-3-13)23-20(25)19-8-14-4-5-15(21)9-18(14)24-19/h4-10,12-13,24H,2-3,11H2,1H3,(H,23,25)
InChIKeyJGPYDRRBHXYJCX-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide (CID 67289964) is N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide is CC(NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccc(OCC2CC2)cn1.
What is the InChIKey of N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide?
The InChIKey is JGPYDRRBHXYJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12(17-7-6-16(10-22-17)26-11-13-2-3-13)23-20(25)19-8-14-4-5-15(21)9-18(14)24-19/h4-10,12-13,24H,2-3,11H2,1H3,(H,23,25).
What are the key properties of N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide?
N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 67289964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).