2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide

C22H22Cl2N4O — CID 142791977

IUPAC2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
SMILESNC(=O)C(CCc1cccnc1)(NCCc1ccncc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H22Cl2N4O/c23-19-5-1-4-18(20(19)24)22(21(25)29,10-6-17-3-2-11-27-15-17)28-14-9-16-7-12-26-13-8-16/h1-5,7-8,11-13,15,28H,6,9-10,14H2,(H2,25,29)
InChIKeyMTROVGOLSPREHV-UHFFFAOYSA-N
MW429.35 g/mol
LogP3.93
Rot. Bonds9

About 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide

2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide (PubChem CID 142791977) has the molecular formula C22H22Cl2N4O and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
PubChem CID142791977
Molecular FormulaC22H22Cl2N4O
Molecular Weight429.35 g/mol
Exact Mass428.12
IUPAC Name2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
SMILESNC(=O)C(CCc1cccnc1)(NCCc1ccncc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H22Cl2N4O/c23-19-5-1-4-18(20(19)24)22(21(25)29,10-6-17-3-2-11-27-15-17)28-14-9-16-7-12-26-13-8-16/h1-5,7-8,11-13,15,28H,6,9-10,14H2,(H2,25,29)
InChIKeyMTROVGOLSPREHV-UHFFFAOYSA-N
XLogP3.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792028
2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792683
2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792570
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791944
2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792015
2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791942
2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792578
2-(4-propan-2-ylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791845
2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792417
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791981
2-(4-chlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792052
2-(2,6-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792620

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide (CID 142791977) is 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide is NC(=O)C(CCc1cccnc1)(NCCc1ccncc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The InChIKey is MTROVGOLSPREHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O/c23-19-5-1-4-18(20(19)24)22(21(25)29,10-6-17-3-2-11-27-15-17)28-14-9-16-7-12-26-13-8-16/h1-5,7-8,11-13,15,28H,6,9-10,14H2,(H2,25,29).
What are the key properties of 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide has a molecular weight of 429.35 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide is sourced from PubChem (CID 142791977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).