[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen

C15H25ClFN3O — CID 158049946

IUPAC[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen
SMILESCC[C@@H](N)c1ccc(Cl)c(C(=O)c2cncc(N)c2)c1F.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C15H15ClFN3O.5H2/c1-2-12(19)10-3-4-11(16)13(14(10)17)15(21)8-5-9(18)7-20-6-8;;;;;/h3-7,12H,2,18-19H2,1H3;5*1H/t12-;;;;;/m1...../s1
InChIKeyFJIWZSODXXHWLV-VMXKKCQBSA-N
MW317.84 g/mol
LogP4.33
Rot. Bonds4

About [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen

[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen (PubChem CID 158049946) has the molecular formula C15H25ClFN3O and a molecular weight of 317.84 g/mol. Its IUPAC name is [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen.

Molecular Properties

Compound Name[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen
PubChem CID158049946
Molecular FormulaC15H25ClFN3O
Molecular Weight317.84 g/mol
Exact Mass317.17
IUPAC Name[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen
SMILESCC[C@@H](N)c1ccc(Cl)c(C(=O)c2cncc(N)c2)c1F.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C15H15ClFN3O.5H2/c1-2-12(19)10-3-4-11(16)13(14(10)17)15(21)8-5-9(18)7-20-6-8;;;;;/h3-7,12H,2,18-19H2,1H3;5*1H/t12-;;;;;/m1...../s1
InChIKeyFJIWZSODXXHWLV-VMXKKCQBSA-N
XLogP4.33
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride
CID 140666617
[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-methylsulfanyl-3-pyridinyl)methanone
CID 142721065
[3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone
CID 123175319
3-[[(1S)-1-[4-chloro-2-fluoro-3-(pyridine-3-carbonyl)phenyl]propyl]amino]-3-methylbutanamide
CID 121493719
3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen
CID 157436333
(3R)-3-[4-chloro-2-fluoro-3-(pyridine-3-carbonyl)phenyl]-1-(cyclohexen-1-yl)pentan-1-one;molecular hydrogen
CID 158043497
tert-butyl N-[1-[4-chloro-2-fluoro-3-(pyridine-3-carbonyl)phenyl]propyl]carbamate
CID 123996420
[3-[(R)-amino(cyclopropyl)methyl]-6-chloro-2-fluorophenyl]-(4-fluorophenyl)methanone;molecular hydrogen
CID 158706057
(3S)-3-[[(R)-[4-chloro-2-fluoro-3-(pyridine-3-carbonyl)phenyl]-cyclopropylmethyl]amino]butanamide;molecular hydrogen
CID 162190195
tert-butyl N-[1-[3-(5-aminopyridine-2-carbonyl)-4-chloro-2-fluorophenyl]propyl]carbamate
CID 123916563
5-[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenoxy]-N-methylpyridin-2-amine;molecular hydrogen
CID 158976164
N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide
CID 140666600

Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen?
The IUPAC name of [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen (CID 158049946) is [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen.
What is the SMILES notation for [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen?
The canonical SMILES for [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen is CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cncc(N)c2)c1F.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen?
The InChIKey is FJIWZSODXXHWLV-VMXKKCQBSA-N. The full InChI is InChI=1S/C15H15ClFN3O.5H2/c1-2-12(19)10-3-4-11(16)13(14(10)17)15(21)8-5-9(18)7-20-6-8;;;;;/h3-7,12H,2,18-19H2,1H3;5*1H/t12-;;;;;/m1...../s1.
What are the key properties of [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen?
[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen has a molecular weight of 317.84 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen is sourced from PubChem (CID 158049946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).