4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide

C21H23ClFN3O2 — CID 167263268

IUPAC4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide
SMILESCCCC1(F)CC(NC(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccn2)C1
InChIInChI=1S/C21H23ClFN3O2/c1-2-8-21(23)12-16(13-21)26-20(28)18-11-15(7-9-24-18)25-19(27)10-14-5-3-4-6-17(14)22/h3-7,9,11,16H,2,8,10,12-13H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyMDQQEMCFANNYCZ-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.32
Rot. Bonds7

About 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide

4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide (PubChem CID 167263268) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide
PubChem CID167263268
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide
SMILESCCCC1(F)CC(NC(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccn2)C1
InChIInChI=1S/C21H23ClFN3O2/c1-2-8-21(23)12-16(13-21)26-20(28)18-11-15(7-9-24-18)25-19(27)10-14-5-3-4-6-17(14)22/h3-7,9,11,16H,2,8,10,12-13H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyMDQQEMCFANNYCZ-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-chlorophenyl)acetyl]amino]-N-(1-ethylcyclopropyl)pyridine-2-carboxamide
CID 170050610
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347906
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109211739
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide
CID 139348428
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide (CID 167263268) is 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide is CCCC1(F)CC(NC(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccn2)C1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is MDQQEMCFANNYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c1-2-8-21(23)12-16(13-21)26-20(28)18-11-15(7-9-24-18)25-19(27)10-14-5-3-4-6-17(14)22/h3-7,9,11,16H,2,8,10,12-13H2,1H3,(H,26,28)(H,24,25,27).
What are the key properties of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide?
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 167263268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).