N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine

C24H27N5O2 — CID 138463538

IUPACN-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine
SMILESCCCCN(c1cc(OC)cc(OC)c1)c1cc2cc(-c3cnn(C)c3)cnc2cn1
InChIInChI=1S/C24H27N5O2/c1-5-6-7-29(20-10-21(30-3)12-22(11-20)31-4)24-9-17-8-18(13-25-23(17)15-26-24)19-14-27-28(2)16-19/h8-16H,5-7H2,1-4H3
InChIKeyFKTJNMHPSRVILU-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.99
Rot. Bonds8

About N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine

N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine (PubChem CID 138463538) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine.

Molecular Properties

Compound NameN-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine
PubChem CID138463538
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine
SMILESCCCCN(c1cc(OC)cc(OC)c1)c1cc2cc(-c3cnn(C)c3)cnc2cn1
InChIInChI=1S/C24H27N5O2/c1-5-6-7-29(20-10-21(30-3)12-22(11-20)31-4)24-9-17-8-18(13-25-23(17)15-26-24)19-14-27-28(2)16-19/h8-16H,5-7H2,1-4H3
InChIKeyFKTJNMHPSRVILU-UHFFFAOYSA-N
XLogP4.99
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine
CID 123260407
8-chloro-N-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 123432793
N-[[1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]anilino)propyl]pyrrolidin-2-yl]methyl]sulfamoyl fluoride
CID 135290943
(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone
CID 71554991
N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122643973
N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
CID 122644031
N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine
CID 138463526
methyl 6-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)hexanoate
CID 156768545
N-(3,5-dimethoxyphenyl)-N-(2-fluorobutyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644047
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine
CID 89447143
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;hydrochloride
CID 134152555
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine?
The IUPAC name of N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine (CID 138463538) is N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine.
What is the SMILES notation for N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine?
The canonical SMILES for N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine is CCCCN(c1cc(OC)cc(OC)c1)c1cc2cc(-c3cnn(C)c3)cnc2cn1.
What is the InChIKey of N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine?
The InChIKey is FKTJNMHPSRVILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-5-6-7-29(20-10-21(30-3)12-22(11-20)31-4)24-9-17-8-18(13-25-23(17)15-26-24)19-14-27-28(2)16-19/h8-16H,5-7H2,1-4H3.
What are the key properties of N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine?
N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine has a molecular weight of 417.51 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine is sourced from PubChem (CID 138463538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).