2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide

C20H19ClN4O — CID 56932488

IUPAC2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
SMILESO=C(NCc1ccncc1)C(NCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O/c21-18-5-3-17(4-6-18)19(24-14-16-2-1-9-23-12-16)20(26)25-13-15-7-10-22-11-8-15/h1-12,19,24H,13-14H2,(H,25,26)
InChIKeyBQIYKUBQBHSRCY-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.28
Rot. Bonds7

About 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide

2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide (PubChem CID 56932488) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
PubChem CID56932488
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
SMILESO=C(NCc1ccncc1)C(NCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O/c21-18-5-3-17(4-6-18)19(24-14-16-2-1-9-23-12-16)20(26)25-13-15-7-10-22-11-8-15/h1-12,19,24H,13-14H2,(H,25,26)
InChIKeyBQIYKUBQBHSRCY-UHFFFAOYSA-N
XLogP3.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 56932735
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 66634712
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
CID 68967185
1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 30259728
2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932484
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide (CID 56932488) is 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide is O=C(NCc1ccncc1)C(NCc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide?
The InChIKey is BQIYKUBQBHSRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-18-5-3-17(4-6-18)19(24-14-16-2-1-9-23-12-16)20(26)25-13-15-7-10-22-11-8-15/h1-12,19,24H,13-14H2,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide?
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide has a molecular weight of 366.85 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide is sourced from PubChem (CID 56932488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).