N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine

C19H17N3O — CID 135060180

IUPACN-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine
SMILESCOc1ccc(CNc2ccnc3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C19H17N3O/c1-23-14-8-6-13(7-9-14)12-21-17-10-11-20-19-18(17)15-4-2-3-5-16(15)22-19/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyNATMIONKAXKNHT-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.34
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine

N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine (PubChem CID 135060180) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine
PubChem CID135060180
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine
SMILESCOc1ccc(CNc2ccnc3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C19H17N3O/c1-23-14-8-6-13(7-9-14)12-21-17-10-11-20-19-18(17)15-4-2-3-5-16(15)22-19/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyNATMIONKAXKNHT-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-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 56683452
N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine
CID 138692712
N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56680103
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
3-[(4-methoxyphenyl)methylamino]-2H-isoquinolin-1-one
CID 16727391
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168082
N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 154632627
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine (CID 135060180) is N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine is COc1ccc(CNc2ccnc3[nH]c4ccccc4c23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine?
The InChIKey is NATMIONKAXKNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-14-8-6-13(7-9-14)12-21-17-10-11-20-19-18(17)15-4-2-3-5-16(15)22-19/h2-11H,12H2,1H3,(H2,20,21,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine?
N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-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[2,3-b]indol-4-amine is sourced from PubChem (CID 135060180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).