N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine

C19H17N3O — CID 56683452

IUPACN-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESCOc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1
InChIInChI=1S/C19H17N3O/c1-23-14-8-6-13(7-9-14)11-20-19-10-16-15-4-2-3-5-17(15)22-18(16)12-21-19/h2-10,12,22H,11H2,1H3,(H,20,21)
InChIKeyUMAJFIMEJGVIFK-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.34
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine

N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 56683452) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
PubChem CID56683452
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESCOc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1
InChIInChI=1S/C19H17N3O/c1-23-14-8-6-13(7-9-14)11-20-19-10-16-15-4-2-3-5-17(15)22-18(16)12-21-19/h2-10,12,22H,11H2,1H3,(H,20,21)
InChIKeyUMAJFIMEJGVIFK-UHFFFAOYSA-N
XLogP4.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 154632627
tert-butyl N-[2-[4-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]ethyl]carbamate
CID 51041466
N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide
CID 154632633
N-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 154632632
N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine
CID 135060180
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973640
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine (CID 56683452) is N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine is COc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is UMAJFIMEJGVIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-14-8-6-13(7-9-14)11-20-19-10-16-15-4-2-3-5-17(15)22-18(16)12-21-19/h2-10,12,22H,11H2,1H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 303.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 56683452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).