N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide

C30H37N3O2 — CID 19592098

IUPACN-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2cccnc2)cc1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C30H37N3O2/c1-3-19-33(27-15-16-28-25(21-27)8-6-10-29(28)35-2)20-5-4-18-32-30(34)24-13-11-23(12-14-24)26-9-7-17-31-22-26/h6-14,17,22,27H,3-5,15-16,18-21H2,1-2H3,(H,32,34)
InChIKeyPDUGTZPNYSGRIM-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.54
Rot. Bonds11

About N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide

N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide (PubChem CID 19592098) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide
PubChem CID19592098
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2cccnc2)cc1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C30H37N3O2/c1-3-19-33(27-15-16-28-25(21-27)8-6-10-29(28)35-2)20-5-4-18-32-30(34)24-13-11-23(12-14-24)26-9-7-17-31-22-26/h6-14,17,22,27H,3-5,15-16,18-21H2,1-2H3,(H,32,34)
InChIKeyPDUGTZPNYSGRIM-UHFFFAOYSA-N
XLogP5.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
N-[4-[[(2R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-pyridin-3-ylbenzamide
CID 18396595
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
4-fluoro-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
CID 10319624
N'-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N'-propyl-N-(3-pyridin-3-ylpropyl)hexane-1,6-diamine;trihydrochloride
CID 70064992
[3-[4-[(4-phenylbenzoyl)amino]butyl-propylamino]-3,4-dihydro-2H-chromen-8-yl] trifluoromethanesulfonate
CID 19592134
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
N-[6-[[(2S)-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]hexyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 70059089
[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] 4-benzamidobutanoate
CID 175230911
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562626

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide (CID 19592098) is N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide is CCCN(CCCCNC(=O)c1ccc(-c2cccnc2)cc1)C1CCc2c(cccc2OC)C1.
What is the InChIKey of N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide?
The InChIKey is PDUGTZPNYSGRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-3-19-33(27-15-16-28-25(21-27)8-6-10-29(28)35-2)20-5-4-18-32-30(34)24-13-11-23(12-14-24)26-9-7-17-31-22-26/h6-14,17,22,27H,3-5,15-16,18-21H2,1-2H3,(H,32,34).
What are the key properties of N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide?
N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide has a molecular weight of 471.65 g/mol, XLogP of 5.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 19592098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).