[5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone

C17H15Cl2FN4O — CID 129152961

IUPAC[5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone
SMILESNC1=C(Nc2ccccn2)CCN(C(=O)c2ccc(F)c(Cl)c2Cl)C1
InChIInChI=1S/C17H15Cl2FN4O/c18-15-10(4-5-11(20)16(15)19)17(25)24-8-6-13(12(21)9-24)23-14-3-1-2-7-22-14/h1-5,7H,6,8-9,21H2,(H,22,23)
InChIKeyDLFXKXVDZVKOBW-UHFFFAOYSA-N
MW381.24 g/mol
LogP3.66
Rot. Bonds3

About [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone

[5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone (PubChem CID 129152961) has the molecular formula C17H15Cl2FN4O and a molecular weight of 381.24 g/mol. Its IUPAC name is [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone
PubChem CID129152961
Molecular FormulaC17H15Cl2FN4O
Molecular Weight381.24 g/mol
Exact Mass380.06
IUPAC Name[5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone
SMILESNC1=C(Nc2ccccn2)CCN(C(=O)c2ccc(F)c(Cl)c2Cl)C1
InChIInChI=1S/C17H15Cl2FN4O/c18-15-10(4-5-11(20)16(15)19)17(25)24-8-6-13(12(21)9-24)23-14-3-1-2-7-22-14/h1-5,7H,6,8-9,21H2,(H,22,23)
InChIKeyDLFXKXVDZVKOBW-UHFFFAOYSA-N
XLogP3.66
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone?
The IUPAC name of [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone (CID 129152961) is [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone.
What is the SMILES notation for [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone?
The canonical SMILES for [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone is NC1=C(Nc2ccccn2)CCN(C(=O)c2ccc(F)c(Cl)c2Cl)C1.
What is the InChIKey of [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone?
The InChIKey is DLFXKXVDZVKOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN4O/c18-15-10(4-5-11(20)16(15)19)17(25)24-8-6-13(12(21)9-24)23-14-3-1-2-7-22-14/h1-5,7H,6,8-9,21H2,(H,22,23).
What are the key properties of [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone?
[5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone has a molecular weight of 381.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone is sourced from PubChem (CID 129152961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).