N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide

C26H25N3O2 — CID 171356370

IUPACN-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)cc(-c2cncc(-c3ccc4c(O)cccc4c3)c2C(=O)NCCN)c1
InChIInChI=1S/C26H25N3O2/c1-16-10-17(2)12-20(11-16)23-15-28-14-22(25(23)26(31)29-9-8-27)19-6-7-21-18(13-19)4-3-5-24(21)30/h3-7,10-15,30H,8-9,27H2,1-2H3,(H,29,31)
InChIKeyDLQDTOXPYMCBJT-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.58
Rot. Bonds5

About N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide

N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide (PubChem CID 171356370) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide
PubChem CID171356370
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)cc(-c2cncc(-c3ccc4c(O)cccc4c3)c2C(=O)NCCN)c1
InChIInChI=1S/C26H25N3O2/c1-16-10-17(2)12-20(11-16)23-15-28-14-22(25(23)26(31)29-9-8-27)19-6-7-21-18(13-19)4-3-5-24(21)30/h3-7,10-15,30H,8-9,27H2,1-2H3,(H,29,31)
InChIKeyDLQDTOXPYMCBJT-UHFFFAOYSA-N
XLogP4.58
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide (CID 171356370) is N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide is Cc1cc(C)cc(-c2cncc(-c3ccc4c(O)cccc4c3)c2C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide?
The InChIKey is DLQDTOXPYMCBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-16-10-17(2)12-20(11-16)23-15-28-14-22(25(23)26(31)29-9-8-27)19-6-7-21-18(13-19)4-3-5-24(21)30/h3-7,10-15,30H,8-9,27H2,1-2H3,(H,29,31).
What are the key properties of N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide?
N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 171356370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).