3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide

C19H19Cl2N3O2 — CID 119108315

IUPAC3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCNCC1=Cc2cc(Cl)cc(Cl)c2OC1)NCc1cccnc1
InChIInChI=1S/C19H19Cl2N3O2/c20-16-7-15-6-14(12-26-19(15)17(21)8-16)10-23-5-3-18(25)24-11-13-2-1-4-22-9-13/h1-2,4,6-9,23H,3,5,10-12H2,(H,24,25)
InChIKeyOLIMHSRWFLYVSH-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.46
Rot. Bonds7

About 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide

3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 119108315) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID119108315
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCNCC1=Cc2cc(Cl)cc(Cl)c2OC1)NCc1cccnc1
InChIInChI=1S/C19H19Cl2N3O2/c20-16-7-15-6-14(12-26-19(15)17(21)8-16)10-23-5-3-18(25)24-11-13-2-1-4-22-9-13/h1-2,4,6-9,23H,3,5,10-12H2,(H,24,25)
InChIKeyOLIMHSRWFLYVSH-UHFFFAOYSA-N
XLogP3.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 119127097
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
N-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023700
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 119114272
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619

Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 119108315) is 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCNCC1=Cc2cc(Cl)cc(Cl)c2OC1)NCc1cccnc1.
What is the InChIKey of 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is OLIMHSRWFLYVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-16-7-15-6-14(12-26-19(15)17(21)8-16)10-23-5-3-18(25)24-11-13-2-1-4-22-9-13/h1-2,4,6-9,23H,3,5,10-12H2,(H,24,25).
What are the key properties of 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide?
3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 392.29 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 119108315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).