1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine

C19H19BrN4 — CID 21266458

IUPAC1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine
SMILESNC(CNc1cc(-c2ccncc2)c(Br)cn1)Cc1ccccc1
InChIInChI=1S/C19H19BrN4/c20-18-13-24-19(11-17(18)15-6-8-22-9-7-15)23-12-16(21)10-14-4-2-1-3-5-14/h1-9,11,13,16H,10,12,21H2,(H,23,24)
InChIKeyYLEFBKXFADSJAK-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.89
Rot. Bonds6

About 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine

1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine (PubChem CID 21266458) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine
PubChem CID21266458
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine
SMILESNC(CNc1cc(-c2ccncc2)c(Br)cn1)Cc1ccccc1
InChIInChI=1S/C19H19BrN4/c20-18-13-24-19(11-17(18)15-6-8-22-9-7-15)23-12-16(21)10-14-4-2-1-3-5-14/h1-9,11,13,16H,10,12,21H2,(H,23,24)
InChIKeyYLEFBKXFADSJAK-UHFFFAOYSA-N
XLogP3.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine (CID 21266458) is 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine is NC(CNc1cc(-c2ccncc2)c(Br)cn1)Cc1ccccc1.
What is the InChIKey of 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine?
The InChIKey is YLEFBKXFADSJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c20-18-13-24-19(11-17(18)15-6-8-22-9-7-15)23-12-16(21)10-14-4-2-1-3-5-14/h1-9,11,13,16H,10,12,21H2,(H,23,24).
What are the key properties of 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine?
1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine has a molecular weight of 383.29 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-4-pyridin-4-yl-2-pyridinyl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 21266458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).