N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide

C50H58N6O2 — CID 158913056

IUPACN-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide
SMILESCCCC(C)N1CC=C(c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)CC1.CCCCCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/2C25H29N3O/c1-3-7-18(2)28-14-12-19(13-15-28)23-17-26-24-11-10-21(16-22(23)24)27-25(29)20-8-5-4-6-9-20;1-2-3-7-14-28-15-12-19(13-16-28)23-18-26-24-11-10-21(17-22(23)24)27-25(29)20-8-5-4-6-9-20/h4-6,8-12,16-18,26H,3,7,13-15H2,1-2H3,(H,27,29);4-6,8-12,17-18,26H,2-3,7,13-16H2,1H3,(H,27,29)
InChIKeyJGWTZOYDXCRLCV-UHFFFAOYSA-N
MW775.05 g/mol
LogP11.40
Rot. Bonds13

About N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide

N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide (PubChem CID 158913056) has the molecular formula C50H58N6O2 and a molecular weight of 775.05 g/mol. Its IUPAC name is N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide
PubChem CID158913056
Molecular FormulaC50H58N6O2
Molecular Weight775.05 g/mol
Exact Mass774.46
IUPAC NameN-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide
SMILESCCCC(C)N1CC=C(c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)CC1.CCCCCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/2C25H29N3O/c1-3-7-18(2)28-14-12-19(13-15-28)23-17-26-24-11-10-21(16-22(23)24)27-25(29)20-8-5-4-6-9-20;1-2-3-7-14-28-15-12-19(13-16-28)23-18-26-24-11-10-21(17-22(23)24)27-25(29)20-8-5-4-6-9-20/h4-6,8-12,16-18,26H,3,7,13-15H2,1-2H3,(H,27,29);4-6,8-12,17-18,26H,2-3,7,13-16H2,1H3,(H,27,29)
InChIKeyJGWTZOYDXCRLCV-UHFFFAOYSA-N
XLogP11.40
TPSA96.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.05
LogP ≤ 511.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide with MolForge

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Related Compounds

but-2-enedioic acid;N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propanamide
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(2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)acetic acid
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2-(5-benzamido-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)acetic acid
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5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
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N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
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N-[3-[1-[2-[(2R,3S)-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide?
The IUPAC name of N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide (CID 158913056) is N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide.
What is the SMILES notation for N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide?
The canonical SMILES for N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide is CCCC(C)N1CC=C(c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)CC1.CCCCCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)CC1.
What is the InChIKey of N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide?
The InChIKey is JGWTZOYDXCRLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29N3O/c1-3-7-18(2)28-14-12-19(13-15-28)23-17-26-24-11-10-21(16-22(23)24)27-25(29)20-8-5-4-6-9-20;1-2-3-7-14-28-15-12-19(13-16-28)23-18-26-24-11-10-21(17-22(23)24)27-25(29)20-8-5-4-6-9-20/h4-6,8-12,16-18,26H,3,7,13-15H2,1-2H3,(H,27,29);4-6,8-12,17-18,26H,2-3,7,13-16H2,1H3,(H,27,29).
What are the key properties of N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide?
N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide has a molecular weight of 775.05 g/mol, XLogP of 11.40, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide is sourced from PubChem (CID 158913056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).