2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide

C23H18FN5O — CID 118063909

IUPAC2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3cnccc3-c3ccccc3)ccn2)ncc1F
InChIInChI=1S/C23H18FN5O/c1-15-11-21(27-13-19(15)24)29-22-12-17(7-10-26-22)23(30)28-20-14-25-9-8-18(20)16-5-3-2-4-6-16/h2-14H,1H3,(H,28,30)(H,26,27,29)
InChIKeyLGGYVCNXHAWWLF-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.98
Rot. Bonds5

About 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide

2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 118063909) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID118063909
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3cnccc3-c3ccccc3)ccn2)ncc1F
InChIInChI=1S/C23H18FN5O/c1-15-11-21(27-13-19(15)24)29-22-12-17(7-10-26-22)23(30)28-20-14-25-9-8-18(20)16-5-3-2-4-6-16/h2-14H,1H3,(H,28,30)(H,26,27,29)
InChIKeyLGGYVCNXHAWWLF-UHFFFAOYSA-N
XLogP4.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 122583837
2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064729
N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
CID 141452842
2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556611

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide (CID 118063909) is 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide is Cc1cc(Nc2cc(C(=O)Nc3cnccc3-c3ccccc3)ccn2)ncc1F.
What is the InChIKey of 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is LGGYVCNXHAWWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-15-11-21(27-13-19(15)24)29-22-12-17(7-10-26-22)23(30)28-20-14-25-9-8-18(20)16-5-3-2-4-6-16/h2-14H,1H3,(H,28,30)(H,26,27,29).
What are the key properties of 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 118063909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).