N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide

C27H25N3O — CID 166774655

IUPACN-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide
SMILESO=C(NC1(C2CC2)CC1)c1cccc2ccn(Cc3ccc(-c4ccccc4)nc3)c12
InChIInChI=1S/C27H25N3O/c31-26(29-27(14-15-27)22-10-11-22)23-8-4-7-21-13-16-30(25(21)23)18-19-9-12-24(28-17-19)20-5-2-1-3-6-20/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,29,31)
InChIKeyNYJFPFVNNKIMJD-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.42
Rot. Bonds6

About N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide

N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide (PubChem CID 166774655) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide
PubChem CID166774655
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC NameN-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide
SMILESO=C(NC1(C2CC2)CC1)c1cccc2ccn(Cc3ccc(-c4ccccc4)nc3)c12
InChIInChI=1S/C27H25N3O/c31-26(29-27(14-15-27)22-10-11-22)23-8-4-7-21-13-16-30(25(21)23)18-19-9-12-24(28-17-19)20-5-2-1-3-6-20/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,29,31)
InChIKeyNYJFPFVNNKIMJD-UHFFFAOYSA-N
XLogP5.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide?
The IUPAC name of N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide (CID 166774655) is N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide.
What is the SMILES notation for N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide?
The canonical SMILES for N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide is O=C(NC1(C2CC2)CC1)c1cccc2ccn(Cc3ccc(-c4ccccc4)nc3)c12.
What is the InChIKey of N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide?
The InChIKey is NYJFPFVNNKIMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c31-26(29-27(14-15-27)22-10-11-22)23-8-4-7-21-13-16-30(25(21)23)18-19-9-12-24(28-17-19)20-5-2-1-3-6-20/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,29,31).
What are the key properties of N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide?
N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide is sourced from PubChem (CID 166774655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).