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

C23H18N4O — CID 154632636

IUPACN-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESc1cncc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)c1
InChIInChI=1S/C23H18N4O/c1-2-9-21-19(8-1)20-12-23(26-15-22(20)27-21)25-13-16-5-3-6-17(11-16)28-18-7-4-10-24-14-18/h1-12,14-15,27H,13H2,(H,25,26)
InChIKeyBSXNNSQEAMICFE-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.52
Rot. Bonds5

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

N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 154632636) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound NameN-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
PubChem CID154632636
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESc1cncc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)c1
InChIInChI=1S/C23H18N4O/c1-2-9-21-19(8-1)20-12-23(26-15-22(20)27-21)25-13-16-5-3-6-17(11-16)28-18-7-4-10-24-14-18/h1-12,14-15,27H,13H2,(H,25,26)
InChIKeyBSXNNSQEAMICFE-UHFFFAOYSA-N
XLogP5.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine (CID 154632636) is N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine is c1cncc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)c1.
What is the InChIKey of N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is BSXNNSQEAMICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-2-9-21-19(8-1)20-12-23(26-15-22(20)27-21)25-13-16-5-3-6-17(11-16)28-18-7-4-10-24-14-18/h1-12,14-15,27H,13H2,(H,25,26).
What are the key properties of N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 366.42 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-3-yloxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 154632636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).