2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine

C17H14N4 — CID 89092900

IUPAC2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccnc2[nH]c3ccccc3c12
InChIInChI=1S/C17H14N4/c18-12-6-2-4-8-14(12)20-15-9-10-19-17-16(15)11-5-1-3-7-13(11)21-17/h1-10H,18H2,(H2,19,20,21)
InChIKeyCJPKVJKUJWEPDD-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.04
Rot. Bonds2

About 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine

2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine (PubChem CID 89092900) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine
PubChem CID89092900
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccnc2[nH]c3ccccc3c12
InChIInChI=1S/C17H14N4/c18-12-6-2-4-8-14(12)20-15-9-10-19-17-16(15)11-5-1-3-7-13(11)21-17/h1-10H,18H2,(H2,19,20,21)
InChIKeyCJPKVJKUJWEPDD-UHFFFAOYSA-N
XLogP4.04
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine (CID 89092900) is 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine is Nc1ccccc1Nc1ccnc2[nH]c3ccccc3c12.
What is the InChIKey of 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine?
The InChIKey is CJPKVJKUJWEPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-12-6-2-4-8-14(12)20-15-9-10-19-17-16(15)11-5-1-3-7-13(11)21-17/h1-10H,18H2,(H2,19,20,21).
What are the key properties of 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine?
2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine has a molecular weight of 274.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(9H-pyrido[2,3-b]indol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 89092900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).