N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide

C22H24ClN5O2 — CID 55765985

IUPACN-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NCCNC(=O)c3cccnc3)c2C)cc1Cl
InChIInChI=1S/C22H24ClN5O2/c1-14-6-7-18(11-20(14)23)28-16(3)19(15(2)27-28)12-21(29)25-9-10-26-22(30)17-5-4-8-24-13-17/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyACSXZVYNQXCCIQ-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.93
Rot. Bonds7

About N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 55765985) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID55765985
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NCCNC(=O)c3cccnc3)c2C)cc1Cl
InChIInChI=1S/C22H24ClN5O2/c1-14-6-7-18(11-20(14)23)28-16(3)19(15(2)27-28)12-21(29)25-9-10-26-22(30)17-5-4-8-24-13-17/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyACSXZVYNQXCCIQ-UHFFFAOYSA-N
XLogP2.93
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765954
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 55823265
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208
3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119177582
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 94563213
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55793924
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502495
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828
3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-methylbenzamide
CID 38965635
4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide
CID 56518026

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide (CID 55765985) is N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide is Cc1ccc(-n2nc(C)c(CC(=O)NCCNC(=O)c3cccnc3)c2C)cc1Cl.
What is the InChIKey of N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is ACSXZVYNQXCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-14-6-7-18(11-20(14)23)28-16(3)19(15(2)27-28)12-21(29)25-9-10-26-22(30)17-5-4-8-24-13-17/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55765985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).