1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one

C14H14ClN3O — CID 116603375

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one
SMILESNc1cccc(CCC(=O)c2cc(Cl)cnc2N)c1
InChIInChI=1S/C14H14ClN3O/c15-10-7-12(14(17)18-8-10)13(19)5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5,16H2,(H2,17,18)
InChIKeyNKBJEPBFNIQGKR-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one

1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one (PubChem CID 116603375) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one
PubChem CID116603375
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one
SMILESNc1cccc(CCC(=O)c2cc(Cl)cnc2N)c1
InChIInChI=1S/C14H14ClN3O/c15-10-7-12(14(17)18-8-10)13(19)5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5,16H2,(H2,17,18)
InChIKeyNKBJEPBFNIQGKR-UHFFFAOYSA-N
XLogP2.71
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one
CID 116603498
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290
3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454
3-(3-aminophenyl)-1-isoquinolin-8-ylpropan-1-one
CID 103133503
3-(3-aminophenyl)-1-(3-chlorothiophen-2-yl)propan-1-one
CID 107361538
3-(3-aminophenyl)-1-(4-chloro-3-methoxyphenyl)propan-1-one
CID 116603445
(2-amino-5-chloro-3-pyridinyl)-(3-chloro-2-fluorophenyl)methanone
CID 64712250
3-(3-aminophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784783
3-(3-aminophenyl)-1-(1-benzothiophen-7-yl)propan-1-one
CID 116603355
3-(3-aminophenyl)-1-(1-methylimidazol-2-yl)propan-1-one
CID 82474092
3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116603294
1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone
CID 116557644

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one (CID 116603375) is 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one is Nc1cccc(CCC(=O)c2cc(Cl)cnc2N)c1.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one?
The InChIKey is NKBJEPBFNIQGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-7-12(14(17)18-8-10)13(19)5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5,16H2,(H2,17,18).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one?
1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one has a molecular weight of 275.74 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one is sourced from PubChem (CID 116603375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).