5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide

C27H27N3O2 — CID 175251382

IUPAC5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
SMILESNC(=O)c1cc2cc(OCc3ccccc3)ccc2n1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C27H27N3O2/c28-27(31)26-17-22-16-24(32-19-21-6-2-1-3-7-21)12-13-25(22)30(26)23-10-8-20(9-11-23)18-29-14-4-5-15-29/h1-3,6-13,16-17H,4-5,14-15,18-19H2,(H2,28,31)
InChIKeyNEMNWRXKTDUNDK-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.90
Rot. Bonds7

About 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide

5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide (PubChem CID 175251382) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
PubChem CID175251382
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
SMILESNC(=O)c1cc2cc(OCc3ccccc3)ccc2n1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C27H27N3O2/c28-27(31)26-17-22-16-24(32-19-21-6-2-1-3-7-21)12-13-25(22)30(26)23-10-8-20(9-11-23)18-29-14-4-5-15-29/h1-3,6-13,16-17H,4-5,14-15,18-19H2,(H2,28,31)
InChIKeyNEMNWRXKTDUNDK-UHFFFAOYSA-N
XLogP4.90
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide?
The IUPAC name of 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide (CID 175251382) is 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide is NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1-c1ccc(CN2CCCC2)cc1.
What is the InChIKey of 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide?
The InChIKey is NEMNWRXKTDUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c28-27(31)26-17-22-16-24(32-19-21-6-2-1-3-7-21)12-13-25(22)30(26)23-10-8-20(9-11-23)18-29-14-4-5-15-29/h1-3,6-13,16-17H,4-5,14-15,18-19H2,(H2,28,31).
What are the key properties of 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide?
5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 175251382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).