N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine

C28H25N5 — CID 71617942

IUPACN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine
SMILESCc1cncc(-c2ccc3c(NCc4cnc(-c5ccnc(C)c5)c(C)c4)nccc3c2)c1
InChIInChI=1S/C28H25N5/c1-18-10-25(17-29-14-18)22-4-5-26-23(13-22)6-9-31-28(26)33-16-21-11-19(2)27(32-15-21)24-7-8-30-20(3)12-24/h4-15,17H,16H2,1-3H3,(H,31,33)
InChIKeyZZRDUZIOYGEKHU-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.29
Rot. Bonds5

About N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine

N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine (PubChem CID 71617942) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine
PubChem CID71617942
Molecular FormulaC28H25N5
Molecular Weight431.54 g/mol
Exact Mass431.21
IUPAC NameN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine
SMILESCc1cncc(-c2ccc3c(NCc4cnc(-c5ccnc(C)c5)c(C)c4)nccc3c2)c1
InChIInChI=1S/C28H25N5/c1-18-10-25(17-29-14-18)22-4-5-26-23(13-22)6-9-31-28(26)33-16-21-11-19(2)27(32-15-21)24-7-8-30-20(3)12-24/h4-15,17H,16H2,1-3H3,(H,31,33)
InChIKeyZZRDUZIOYGEKHU-UHFFFAOYSA-N
XLogP6.29
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 118634361
6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 118043574
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
CID 71617873
N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylisoquinolin-1-amine
CID 71617872
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 135335325
4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 129033326
6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 71618805
methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate
CID 155478844
6-(4-isocyanophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
CID 123370379
N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 157239491
N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
CID 174650690
7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine
CID 57413824

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine?
The IUPAC name of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine (CID 71617942) is N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine.
What is the SMILES notation for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine?
The canonical SMILES for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine is Cc1cncc(-c2ccc3c(NCc4cnc(-c5ccnc(C)c5)c(C)c4)nccc3c2)c1.
What is the InChIKey of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine?
The InChIKey is ZZRDUZIOYGEKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5/c1-18-10-25(17-29-14-18)22-4-5-26-23(13-22)6-9-31-28(26)33-16-21-11-19(2)27(32-15-21)24-7-8-30-20(3)12-24/h4-15,17H,16H2,1-3H3,(H,31,33).
What are the key properties of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine?
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine has a molecular weight of 431.54 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine is sourced from PubChem (CID 71617942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).