N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane

C32H41N3 — CID 145465344

IUPACN-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane
SMILESC=Cc1c(C)c(-c2ccc(NCc3ccc(CCCC)cc3)cc2)nc2ccncc12.CC.CC
InChIInChI=1S/C28H29N3.2C2H6/c1-4-6-7-21-8-10-22(11-9-21)18-30-24-14-12-23(13-15-24)28-20(3)25(5-2)26-19-29-17-16-27(26)31-28;2*1-2/h5,8-17,19,30H,2,4,6-7,18H2,1,3H3;2*1-2H3
InChIKeyUQJWQJGCZGBVDB-UHFFFAOYSA-N
MW467.70 g/mol
LogP9.26
Rot. Bonds8

About N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane

N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane (PubChem CID 145465344) has the molecular formula C32H41N3 and a molecular weight of 467.70 g/mol. Its IUPAC name is N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane.

Molecular Properties

Compound NameN-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane
PubChem CID145465344
Molecular FormulaC32H41N3
Molecular Weight467.70 g/mol
Exact Mass467.33
IUPAC NameN-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane
SMILESC=Cc1c(C)c(-c2ccc(NCc3ccc(CCCC)cc3)cc2)nc2ccncc12.CC.CC
InChIInChI=1S/C28H29N3.2C2H6/c1-4-6-7-21-8-10-22(11-9-21)18-30-24-14-12-23(13-15-24)28-20(3)25(5-2)26-19-29-17-16-27(26)31-28;2*1-2/h5,8-17,19,30H,2,4,6-7,18H2,1,3H3;2*1-2H3
InChIKeyUQJWQJGCZGBVDB-UHFFFAOYSA-N
XLogP9.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.70
LogP ≤ 59.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
CID 25063249
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
CID 24850159
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane?
The IUPAC name of N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane (CID 145465344) is N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane.
What is the SMILES notation for N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane?
The canonical SMILES for N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane is C=Cc1c(C)c(-c2ccc(NCc3ccc(CCCC)cc3)cc2)nc2ccncc12.CC.CC.
What is the InChIKey of N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane?
The InChIKey is UQJWQJGCZGBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3.2C2H6/c1-4-6-7-21-8-10-22(11-9-21)18-30-24-14-12-23(13-15-24)28-20(3)25(5-2)26-19-29-17-16-27(26)31-28;2*1-2/h5,8-17,19,30H,2,4,6-7,18H2,1,3H3;2*1-2H3.
What are the key properties of N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane?
N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane has a molecular weight of 467.70 g/mol, XLogP of 9.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane is sourced from PubChem (CID 145465344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).