N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide

C20H25FN4O2 — CID 69260763

IUPACN-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide
SMILESCN(C)CC(=O)Nc1cc(NC(=O)c2cccnc2F)ccc1C(C)(C)C
InChIInChI=1S/C20H25FN4O2/c1-20(2,3)15-9-8-13(11-16(15)24-17(26)12-25(4)5)23-19(27)14-7-6-10-22-18(14)21/h6-11H,12H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyHKHWDHNIABFWCR-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.27
Rot. Bonds5

About N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide

N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide (PubChem CID 69260763) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide
PubChem CID69260763
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide
SMILESCN(C)CC(=O)Nc1cc(NC(=O)c2cccnc2F)ccc1C(C)(C)C
InChIInChI=1S/C20H25FN4O2/c1-20(2,3)15-9-8-13(11-16(15)24-17(26)12-25(4)5)23-19(27)14-7-6-10-22-18(14)21/h6-11H,12H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyHKHWDHNIABFWCR-UHFFFAOYSA-N
XLogP3.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-7,8-dimethylquinoline-5-carboxamide
CID 167789607
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 89089500
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
N-[4-tert-butyl-3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498918
2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-(piperazin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 87832771
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 155781281
N-(6-chloro-5-fluoro-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 177336273

Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide (CID 69260763) is N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide is CN(C)CC(=O)Nc1cc(NC(=O)c2cccnc2F)ccc1C(C)(C)C.
What is the InChIKey of N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide?
The InChIKey is HKHWDHNIABFWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-20(2,3)15-9-8-13(11-16(15)24-17(26)12-25(4)5)23-19(27)14-7-6-10-22-18(14)21/h6-11H,12H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide?
N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 69260763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).