N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide

C26H20F2N4O2 — CID 59399357

IUPACN-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NC(=O)c2ccccc2)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C26H20F2N4O2/c1-26(2,20-12-6-10-18(29-20)17-14-15-22(27)31-23(17)28)21-13-7-11-19(30-21)25(34)32-24(33)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,32,33,34)
InChIKeyCRNRTOJYNXHSLK-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.71
Rot. Bonds5

About N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide

N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide (PubChem CID 59399357) has the molecular formula C26H20F2N4O2 and a molecular weight of 458.47 g/mol. Its IUPAC name is N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
PubChem CID59399357
Molecular FormulaC26H20F2N4O2
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC NameN-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NC(=O)c2ccccc2)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C26H20F2N4O2/c1-26(2,20-12-6-10-18(29-20)17-14-15-22(27)31-23(17)28)21-13-7-11-19(30-21)25(34)32-24(33)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,32,33,34)
InChIKeyCRNRTOJYNXHSLK-UHFFFAOYSA-N
XLogP4.71
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
2-N,6-N-bis(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 1010589
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 127041542
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 127042183
6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide
CID 44602524
3-amino-6-(2-fluorophenyl)-N-(4-pyridin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 68162223
(3R)-3-amino-1-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70695076
N-[4-[(3R,4S,5S)-4-acetamido-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 72548437
N-[4-[(3R,4S,5S)-3,4-diamino-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 91937559
(3R)-3-amino-1-[4-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70690893
2-N,6-N-bis(2-methylquinolin-6-yl)pyridine-2,6-dicarboxamide
CID 44533591
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 71087365

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide (CID 59399357) is N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide is CC(C)(c1cccc(C(=O)NC(=O)c2ccccc2)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The InChIKey is CRNRTOJYNXHSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O2/c1-26(2,20-12-6-10-18(29-20)17-14-15-22(27)31-23(17)28)21-13-7-11-19(30-21)25(34)32-24(33)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,32,33,34).
What are the key properties of N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59399357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).