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

C14H13BrN4 — CID 59506859

IUPACN-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1c(CNCc2ccncc2)[nH]c2ncccc12
InChIInChI=1S/C14H13BrN4/c15-13-11-2-1-5-18-14(11)19-12(13)9-17-8-10-3-6-16-7-4-10/h1-7,17H,8-9H2,(H,18,19)
InChIKeyWYLGAMLMGUBEKJ-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.01
Rot. Bonds4

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

N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 59506859) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID59506859
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC NameN-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1c(CNCc2ccncc2)[nH]c2ncccc12
InChIInChI=1S/C14H13BrN4/c15-13-11-2-1-5-18-14(11)19-12(13)9-17-8-10-3-6-16-7-4-10/h1-7,17H,8-9H2,(H,18,19)
InChIKeyWYLGAMLMGUBEKJ-UHFFFAOYSA-N
XLogP3.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine (CID 59506859) is N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine is Brc1c(CNCc2ccncc2)[nH]c2ncccc12.
What is the InChIKey of N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is WYLGAMLMGUBEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c15-13-11-2-1-5-18-14(11)19-12(13)9-17-8-10-3-6-16-7-4-10/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 317.19 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 59506859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).