5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide

C28H32ClN3O — CID 11955540

IUPAC5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCC(c1ccc2c(c1)CCC(N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)cn1)C2)N(C)C
InChIInChI=1S/C28H32ClN3O/c1-5-27(31(2)3)22-7-6-21-17-25(14-10-20(21)16-22)32(4)28(33)26-15-11-23(18-30-26)19-8-12-24(29)13-9-19/h6-9,11-13,15-16,18,25,27H,5,10,14,17H2,1-4H3
InChIKeyCDTQBVVWZWGDSA-UHFFFAOYSA-N
MW462.04 g/mol
LogP6.04
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide

5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 11955540) has the molecular formula C28H32ClN3O and a molecular weight of 462.04 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID11955540
Molecular FormulaC28H32ClN3O
Molecular Weight462.04 g/mol
Exact Mass461.22
IUPAC Name5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCC(c1ccc2c(c1)CCC(N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)cn1)C2)N(C)C
InChIInChI=1S/C28H32ClN3O/c1-5-27(31(2)3)22-7-6-21-17-25(14-10-20(21)16-22)32(4)28(33)26-15-11-23(18-30-26)19-8-12-24(29)13-9-19/h6-9,11-13,15-16,18,25,27H,5,10,14,17H2,1-4H3
InChIKeyCDTQBVVWZWGDSA-UHFFFAOYSA-N
XLogP6.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.04
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide (CID 11955540) is 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide is CCC(c1ccc2c(c1)CCC(N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)cn1)C2)N(C)C.
What is the InChIKey of 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is CDTQBVVWZWGDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O/c1-5-27(31(2)3)22-7-6-21-17-25(14-10-20(21)16-22)32(4)28(33)26-15-11-23(18-30-26)19-8-12-24(29)13-9-19/h6-9,11-13,15-16,18,25,27H,5,10,14,17H2,1-4H3.
What are the key properties of 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide?
5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 462.04 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[6-[1-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11955540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).