2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide

C25H27N3O2 — CID 71186269

IUPAC2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
SMILESCc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cccc1C(N)=O
InChIInChI=1S/C25H27N3O2/c1-16-8-6-10-19-22(27-21-11-7-9-18(17(21)2)24(26)29)13-12-20(23(16)19)25(30)28-14-4-3-5-15-28/h6-13,27H,3-5,14-15H2,1-2H3,(H2,26,29)
InChIKeyANXJFDOMNFBQIB-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.93
Rot. Bonds4

About 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide

2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide (PubChem CID 71186269) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
PubChem CID71186269
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
SMILESCc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cccc1C(N)=O
InChIInChI=1S/C25H27N3O2/c1-16-8-6-10-19-22(27-21-11-7-9-18(17(21)2)24(26)29)13-12-20(23(16)19)25(30)28-14-4-3-5-15-28/h6-13,27H,3-5,14-15H2,1-2H3,(H2,26,29)
InChIKeyANXJFDOMNFBQIB-UHFFFAOYSA-N
XLogP4.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone
CID 71185988
3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid
CID 71186195
methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate
CID 71186080
N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71203996
2,3-dimethylbenzamide;piperidine-1-carboxylic acid
CID 174249980
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
[5-amino-2-(naphthalen-1-ylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100644540
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
3-[[5-chloro-4-(piperidine-1-carbonyl)isoquinolin-1-yl]amino]-N-ethyl-2-methylbenzamide
CID 71187173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide?
The IUPAC name of 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide (CID 71186269) is 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide.
What is the SMILES notation for 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide?
The canonical SMILES for 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide is Cc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide?
The InChIKey is ANXJFDOMNFBQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16-8-6-10-19-22(27-21-11-7-9-18(17(21)2)24(26)29)13-12-20(23(16)19)25(30)28-14-4-3-5-15-28/h6-13,27H,3-5,14-15H2,1-2H3,(H2,26,29).
What are the key properties of 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide?
2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide is sourced from PubChem (CID 71186269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).