N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine

C17H14N4 — CID 147002776

IUPACN-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
SMILESCNc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C17H14N4/c1-18-17-5-3-12(9-20-17)11-2-4-13-14-10-19-7-6-15(14)21-16(13)8-11/h2-10,21H,1H3,(H,18,20)
InChIKeyASIYTAIFKZJBLJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.82
Rot. Bonds2

About N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine

N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine (PubChem CID 147002776) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
PubChem CID147002776
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC NameN-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
SMILESCNc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C17H14N4/c1-18-17-5-3-12(9-20-17)11-2-4-13-14-10-19-7-6-15(14)21-16(13)8-11/h2-10,21H,1H3,(H,18,20)
InChIKeyASIYTAIFKZJBLJ-UHFFFAOYSA-N
XLogP3.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 134488720
3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal
CID 134481387
7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole
CID 175762536
5-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)hexan-3-one;N-propan-2-yl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
CID 159170495
N-methyl-5-pyridin-4-ylpyridin-2-amine
CID 12774637
7-(5-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 155585000
2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol
CID 167423183
7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde
CID 142365403
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
CID 116986026
N,1-dimethyl-4-(5H-pyrido[4,3-b]indol-7-yl)cyclohexa-2,4-dien-1-amine;ethane;molecular hydrogen
CID 142517142
7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide
CID 158006586
2-pyridin-3-yl-9H-carbazole
CID 175799429

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine (CID 147002776) is N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine is CNc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.
What is the InChIKey of N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine?
The InChIKey is ASIYTAIFKZJBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-18-17-5-3-12(9-20-17)11-2-4-13-14-10-19-7-6-15(14)21-16(13)8-11/h2-10,21H,1H3,(H,18,20).
What are the key properties of N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine?
N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine is sourced from PubChem (CID 147002776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).