1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine

C14H14N4 — CID 143384741

IUPAC1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
SMILESCNc1ccc(Nc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H14N4/c1-15-10-2-4-11(5-3-10)18-13-7-9-17-14-12(13)6-8-16-14/h2-9,15H,1H3,(H2,16,17,18)
InChIKeyONPIZCMZELJNSP-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.35
Rot. Bonds3

About 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine

1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine (PubChem CID 143384741) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
PubChem CID143384741
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
SMILESCNc1ccc(Nc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H14N4/c1-15-10-2-4-11(5-3-10)18-13-7-9-17-14-12(13)6-8-16-14/h2-9,15H,1H3,(H2,16,17,18)
InChIKeyONPIZCMZELJNSP-UHFFFAOYSA-N
XLogP3.35
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine (CID 143384741) is 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine is CNc1ccc(Nc2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine?
The InChIKey is ONPIZCMZELJNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-15-10-2-4-11(5-3-10)18-13-7-9-17-14-12(13)6-8-16-14/h2-9,15H,1H3,(H2,16,17,18).
What are the key properties of 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine?
1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine has a molecular weight of 238.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 143384741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).