4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C21H23N3O2 — CID 97186365

IUPAC4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCc1cccc2c(C3=CCN(C(=O)NCc4ccoc4)CC3)c[nH]c12
InChIInChI=1S/C21H23N3O2/c1-2-16-4-3-5-18-19(13-22-20(16)18)17-6-9-24(10-7-17)21(25)23-12-15-8-11-26-14-15/h3-6,8,11,13-14,22H,2,7,9-10,12H2,1H3,(H,23,25)
InChIKeyHHPKLGDXAGLBIZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.32
Rot. Bonds4

About 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 97186365) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID97186365
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCc1cccc2c(C3=CCN(C(=O)NCc4ccoc4)CC3)c[nH]c12
InChIInChI=1S/C21H23N3O2/c1-2-16-4-3-5-18-19(13-22-20(16)18)17-6-9-24(10-7-17)21(25)23-12-15-8-11-26-14-15/h3-6,8,11,13-14,22H,2,7,9-10,12H2,1H3,(H,23,25)
InChIKeyHHPKLGDXAGLBIZ-UHFFFAOYSA-N
XLogP4.32
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 97194159
N-[(2-bromophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68710122
N-[(2-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634277
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634149
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-phenylacetamide
CID 40811479
6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile
CID 18288124
N-[2-(4-fluorophenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632510
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
N-(2-phenoxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634017
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 20916512
N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68712699
N-benzyl-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 38882796

Frequently Asked Questions

What is the IUPAC name of 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 97186365) is 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCc1cccc2c(C3=CCN(C(=O)NCc4ccoc4)CC3)c[nH]c12.
What is the InChIKey of 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HHPKLGDXAGLBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-16-4-3-5-18-19(13-22-20(16)18)17-6-9-24(10-7-17)21(25)23-12-15-8-11-26-14-15/h3-6,8,11,13-14,22H,2,7,9-10,12H2,1H3,(H,23,25).
What are the key properties of 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 97186365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).