N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide

C27H25N3O4 — CID 162012236

IUPACN-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide
SMILESO=C(COCc1ccco1)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1
InChIInChI=1S/C27H25N3O4/c31-23-10-4-9-22-26(23)21(14-18-6-2-1-3-7-18)27(29-22)19-11-12-28-24(15-19)30-25(32)17-33-16-20-8-5-13-34-20/h1-3,5-8,11-13,15,29H,4,9-10,14,16-17H2,(H,28,30,32)
InChIKeyYTPXTCPHHWHGLY-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.93
Rot. Bonds8

About N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide

N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide (PubChem CID 162012236) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide
PubChem CID162012236
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide
SMILESO=C(COCc1ccco1)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1
InChIInChI=1S/C27H25N3O4/c31-23-10-4-9-22-26(23)21(14-18-6-2-1-3-7-18)27(29-22)19-11-12-28-24(15-19)30-25(32)17-33-16-20-8-5-13-34-20/h1-3,5-8,11-13,15,29H,4,9-10,14,16-17H2,(H,28,30,32)
InChIKeyYTPXTCPHHWHGLY-UHFFFAOYSA-N
XLogP4.93
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide with MolForge

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Related Compounds

N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide
CID 159970460
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-triazole-4-carboxamide
CID 158370591
1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 149198875
1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopentylthiourea
CID 160873071
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide
CID 118607114
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 118606753
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-thiophen-3-ylacetamide
CID 118607305
cis-(1S,2S)-N-[4-[3-benzyl-6-(cyclopropanecarbonyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 159746949
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]but-3-ynamide
CID 118606713
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide
CID 118607404
3-benzyl-2-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-N,6-dimethyl-4-oxo-N-propyl-5,7-dihydro-1H-indole-6-carboxamide
CID 153140168
N-[4-[(4aR,5aR)-3-benzyl-4-oxo-4a,5,5a,6-tetrahydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 148512859

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide?
The IUPAC name of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide (CID 162012236) is N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide is O=C(COCc1ccco1)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1.
What is the InChIKey of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide?
The InChIKey is YTPXTCPHHWHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c31-23-10-4-9-22-26(23)21(14-18-6-2-1-3-7-18)27(29-22)19-11-12-28-24(15-19)30-25(32)17-33-16-20-8-5-13-34-20/h1-3,5-8,11-13,15,29H,4,9-10,14,16-17H2,(H,28,30,32).
What are the key properties of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide?
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide has a molecular weight of 455.51 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide is sourced from PubChem (CID 162012236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).