N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine

C18H14N4 — CID 169097748

IUPACN-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESc1ccc(Nc2cc3[nH]c(-c4cccnc4)cc3cn2)cc1
InChIInChI=1S/C18H14N4/c1-2-6-15(7-3-1)21-18-10-17-14(12-20-18)9-16(22-17)13-5-4-8-19-11-13/h1-12,22H,(H,20,21)
InChIKeyRLLNCNKAKPLRON-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.37
Rot. Bonds3

About N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine

N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 169097748) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID169097748
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC NameN-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESc1ccc(Nc2cc3[nH]c(-c4cccnc4)cc3cn2)cc1
InChIInChI=1S/C18H14N4/c1-2-6-15(7-3-1)21-18-10-17-14(12-20-18)9-16(22-17)13-5-4-8-19-11-13/h1-12,22H,(H,20,21)
InChIKeyRLLNCNKAKPLRON-UHFFFAOYSA-N
XLogP4.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 169097748) is N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine is c1ccc(Nc2cc3[nH]c(-c4cccnc4)cc3cn2)cc1.
What is the InChIKey of N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is RLLNCNKAKPLRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-6-15(7-3-1)21-18-10-17-14(12-20-18)9-16(22-17)13-5-4-8-19-11-13/h1-12,22H,(H,20,21).
What are the key properties of N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine?
N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 286.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 169097748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).