2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide

C20H18Cl2N4O — CID 56932735

IUPAC2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(NCc1cccnc1)C(NCc1ccncc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H18Cl2N4O/c21-16-3-4-18(22)17(10-16)19(25-12-14-5-8-23-9-6-14)20(27)26-13-15-2-1-7-24-11-15/h1-11,19,25H,12-13H2,(H,26,27)
InChIKeyFAPQSVXBBRBRFG-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.93
Rot. Bonds7

About 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide

2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 56932735) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID56932735
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(NCc1cccnc1)C(NCc1ccncc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H18Cl2N4O/c21-16-3-4-18(22)17(10-16)19(25-12-14-5-8-23-9-6-14)20(27)26-13-15-2-1-7-24-11-15/h1-11,19,25H,12-13H2,(H,26,27)
InChIKeyFAPQSVXBBRBRFG-UHFFFAOYSA-N
XLogP3.93
TPSA66.91 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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 56932488
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 66634712
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 47051274
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
2-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 56932781
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347968
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 75497285

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide (CID 56932735) is 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide is O=C(NCc1cccnc1)C(NCc1ccncc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is FAPQSVXBBRBRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c21-16-3-4-18(22)17(10-16)19(25-12-14-5-8-23-9-6-14)20(27)26-13-15-2-1-7-24-11-15/h1-11,19,25H,12-13H2,(H,26,27).
What are the key properties of 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide?
2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 401.30 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 56932735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).