N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide

C22H26FN3O2 — CID 135283637

IUPACN-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NCC(C)(C)C)cn2)c1
InChIInChI=1S/C22H26FN3O2/c1-6-9-24-21(28)16-10-17(14(2)18(23)11-16)19-8-7-15(12-25-19)20(27)26-13-22(3,4)5/h6-8,10-12H,1,9,13H2,2-5H3,(H,24,28)(H,26,27)
InChIKeyQGTOZVCCXSMSFI-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.89
Rot. Bonds6

About N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide

N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 135283637) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID135283637
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NCC(C)(C)C)cn2)c1
InChIInChI=1S/C22H26FN3O2/c1-6-9-24-21(28)16-10-17(14(2)18(23)11-16)19-8-7-15(12-25-19)20(27)26-13-22(3,4)5/h6-8,10-12H,1,9,13H2,2-5H3,(H,24,28)(H,26,27)
InChIKeyQGTOZVCCXSMSFI-UHFFFAOYSA-N
XLogP3.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 3-[5-(2,2-dimethylpropylcarbamoyl)-2-pyridinyl]-5-fluoro-4-methylbenzoate
CID 143691455
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
CID 135283535
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-[5-[[3-[4-(2,2-dimethylpropylcarbamoyl)-2-propoxyphenyl]-5-fluoro-4-methylbenzoyl]amino]-2,4-dimethylhexan-2-yl]pyridine-3-carboxamide
CID 135294113
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
CID 68680738
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
3-[5-[2-(2,2-dimethylpropyl)pyrrole-2-carbonyl]-2-pyridinyl]-5-fluoro-4-methylbenzoic acid
CID 91222630
N-butyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methylpyridazine-3-carboxamide;6-[5-(cyclobutylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide;N-cyclohexyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-cyclopentyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridine-3-carboxamide;N-ethyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-propan-2-ylpyridazine-3-carboxamide;6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methyl-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 158612487
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-methoxyphenyl]-5-fluoro-4-methylbenzamide;molecular hydrogen
CID 145282453
N-(2,2-dimethylpropyl)-6-[3-[[(E)-C-ethenyl-N-hydroxycarbonimidoyl]carbamoyl]-6-fluoro-7-methylcyclohepta-1,3,6-trien-1-yl]pyridine-3-carboxamide
CID 143369197
N-cyclopropyl-3-[2-[3-(dimethylamino)propoxy]-4-(2,2-dimethylpropylcarbamoyl)phenyl]-5-fluoro-4-methylbenzamide
CID 11431653

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 135283637) is N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide is C=CCNC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NCC(C)(C)C)cn2)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QGTOZVCCXSMSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-6-9-24-21(28)16-10-17(14(2)18(23)11-16)19-8-7-15(12-25-19)20(27)26-13-22(3,4)5/h6-8,10-12H,1,9,13H2,2-5H3,(H,24,28)(H,26,27).
What are the key properties of N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide?
N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135283637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).