2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide

C20H18Cl2N4O — CID 142792015

IUPAC2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1ccncc1)(NCc1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H18Cl2N4O/c21-17-5-1-4-16(18(17)22)20(19(23)27,11-14-6-9-24-10-7-14)26-13-15-3-2-8-25-12-15/h1-10,12,26H,11,13H2,(H2,23,27)
InChIKeyCMBSATYKBBFNDU-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.50
Rot. Bonds7

About 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide

2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide (PubChem CID 142792015) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
PubChem CID142792015
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1ccncc1)(NCc1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H18Cl2N4O/c21-17-5-1-4-16(18(17)22)20(19(23)27,11-14-6-9-24-10-7-14)26-13-15-3-2-8-25-12-15/h1-10,12,26H,11,13H2,(H2,23,27)
InChIKeyCMBSATYKBBFNDU-UHFFFAOYSA-N
XLogP3.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792620
2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791977
2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142791803
2-(2-ethoxyphenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792386
3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792044
2-pyridin-2-yl-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792490
2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792407
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792028
2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792047
2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792098
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide (CID 142792015) is 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide is NC(=O)C(Cc1ccncc1)(NCc1cccnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide?
The InChIKey is CMBSATYKBBFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c21-17-5-1-4-16(18(17)22)20(19(23)27,11-14-6-9-24-10-7-14)26-13-15-3-2-8-25-12-15/h1-10,12,26H,11,13H2,(H2,23,27).
What are the key properties of 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide?
2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide has a molecular weight of 401.30 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide is sourced from PubChem (CID 142792015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).