2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide

C20H20Cl2N4O — CID 164626836

IUPAC2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide
SMILESCC1=CC(=NC=C1C2=CN(N=C2C)C)CNC(=O)CC3=CC(=C(C=C3)Cl)Cl
InChIInChI=1S/C20H20Cl2N4O/c1-12-6-15(23-10-16(12)17-11-26(3)25-13(17)2)9-24-20(27)8-14-4-5-18(21)19(22)7-14/h4-7,10-11H,8-9H2,1-3H3,(H,24,27)
InChIKeyFIFLHWHKXGREIU-UHFFFAOYSA-N
MW403.30 g/mol
LogP3.60
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide

2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide (PubChem CID 164626836) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.30 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide
PubChem CID164626836
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.30 g/mol
Exact Mass402.10
IUPAC Name2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide
SMILESCC1=CC(=NC=C1C2=CN(N=C2C)C)CNC(=O)CC3=CC(=C(C=C3)Cl)Cl
InChIInChI=1S/C20H20Cl2N4O/c1-12-6-15(23-10-16(12)17-11-26(3)25-13(17)2)9-24-20(27)8-14-4-5-18(21)19(22)7-14/h4-7,10-11H,8-9H2,1-3H3,(H,24,27)
InChIKeyFIFLHWHKXGREIU-UHFFFAOYSA-N
XLogP3.60
TPSA59.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity508

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10789419
(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10813901
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methylpyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 24798011
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyridin-3-yl)-ethyl)-1H-pyrrole-2-carboxamide
CID 135523940
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135529466
5-[(3,4-dichlorophenyl)methyl]-4-oxo-1-piperidin-4-yl-N-pyridin-4-ylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 137333984
N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide
CID 156027238
N-[2-(4-chlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16194125
N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 1763093
(3,4-Dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10646934
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950750

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide (CID 164626836) is 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide is CC1=CC(=NC=C1C2=CN(N=C2C)C)CNC(=O)CC3=CC(=C(C=C3)Cl)Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide?
The InChIKey is FIFLHWHKXGREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-12-6-15(23-10-16(12)17-11-26(3)25-13(17)2)9-24-20(27)8-14-4-5-18(21)19(22)7-14/h4-7,10-11H,8-9H2,1-3H3,(H,24,27).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide?
2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide has a molecular weight of 403.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 164626836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).