(2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine

C19H20N4 — CID 69138686

IUPAC(2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine
SMILESN[C@@H](CNc1cc(-c2ccncc2)ccn1)Cc1ccccc1
InChIInChI=1S/C19H20N4/c20-18(12-15-4-2-1-3-5-15)14-23-19-13-17(8-11-22-19)16-6-9-21-10-7-16/h1-11,13,18H,12,14,20H2,(H,22,23)/t18-/m1/s1
InChIKeyYIEVWLBKCYESEZ-GOSISDBHSA-N
MW304.40 g/mol
LogP3.13
Rot. Bonds6

About (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine

(2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine (PubChem CID 69138686) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine
PubChem CID69138686
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name(2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine
SMILESN[C@@H](CNc1cc(-c2ccncc2)ccn1)Cc1ccccc1
InChIInChI=1S/C19H20N4/c20-18(12-15-4-2-1-3-5-15)14-23-19-13-17(8-11-22-19)16-6-9-21-10-7-16/h1-11,13,18H,12,14,20H2,(H,22,23)/t18-/m1/s1
InChIKeyYIEVWLBKCYESEZ-GOSISDBHSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine?
The IUPAC name of (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine (CID 69138686) is (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine?
The canonical SMILES for (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine is N[C@@H](CNc1cc(-c2ccncc2)ccn1)Cc1ccccc1.
What is the InChIKey of (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine?
The InChIKey is YIEVWLBKCYESEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4/c20-18(12-15-4-2-1-3-5-15)14-23-19-13-17(8-11-22-19)16-6-9-21-10-7-16/h1-11,13,18H,12,14,20H2,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine?
(2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine has a molecular weight of 304.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 69138686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).