(1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine

C19H18BrFN4 — CID 57181662

IUPAC(1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine
SMILESN[C@H](CCNc1ccnc(-c2ccncc2)c1Br)c1ccccc1F
InChIInChI=1S/C19H18BrFN4/c20-18-17(8-12-25-19(18)13-5-9-23-10-6-13)24-11-7-16(22)14-3-1-2-4-15(14)21/h1-6,8-10,12,16H,7,11,22H2,(H,24,25)/t16-/m1/s1
InChIKeyPHOCCQWTXNROTO-MRXNPFEDSA-N
MW401.28 g/mol
LogP4.55
Rot. Bonds6

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

(1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine (PubChem CID 57181662) has the molecular formula C19H18BrFN4 and a molecular weight of 401.28 g/mol. Its IUPAC name is (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine
PubChem CID57181662
Molecular FormulaC19H18BrFN4
Molecular Weight401.28 g/mol
Exact Mass400.07
IUPAC Name(1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine
SMILESN[C@H](CCNc1ccnc(-c2ccncc2)c1Br)c1ccccc1F
InChIInChI=1S/C19H18BrFN4/c20-18-17(8-12-25-19(18)13-5-9-23-10-6-13)24-11-7-16(22)14-3-1-2-4-15(14)21/h1-6,8-10,12,16H,7,11,22H2,(H,24,25)/t16-/m1/s1
InChIKeyPHOCCQWTXNROTO-MRXNPFEDSA-N
XLogP4.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine with MolForge

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Related Compounds

1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
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N-(3-bromophenyl)quinolin-4-amine
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4-[2-(3-Bromo-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399562
3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-propylamine
CID 44399722
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CID 817514
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CID 9889638
4-[4-Bromo-2-(4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399242
6-bromo-N-(2-phenylethyl)quinolin-4-amine
CID 146403450
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CID 97232
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CID 17040080
N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine
CID 10550790

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine?
The IUPAC name of (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine (CID 57181662) is (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine is N[C@H](CCNc1ccnc(-c2ccncc2)c1Br)c1ccccc1F.
What is the InChIKey of (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine?
The InChIKey is PHOCCQWTXNROTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18BrFN4/c20-18-17(8-12-25-19(18)13-5-9-23-10-6-13)24-11-7-16(22)14-3-1-2-4-15(14)21/h1-6,8-10,12,16H,7,11,22H2,(H,24,25)/t16-/m1/s1.
What are the key properties of (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine?
(1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine has a molecular weight of 401.28 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-(3-bromo-2-pyridin-4-yl-4-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 57181662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).