2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide

C21H16F2N4O2 — CID 122583837

IUPAC2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CC2(F)F)c1
InChIInChI=1S/C21H16F2N4O2/c22-21(23)11-16(21)20(29)27-18-10-14(6-9-25-18)19(28)26-17-12-24-8-7-15(17)13-4-2-1-3-5-13/h1-10,12,16H,11H2,(H,26,28)(H,25,27,29)
InChIKeyCMHYJWFQHJOLGB-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.99
Rot. Bonds5

About 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide

2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 122583837) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID122583837
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CC2(F)F)c1
InChIInChI=1S/C21H16F2N4O2/c22-21(23)11-16(21)20(29)27-18-10-14(6-9-25-18)19(28)26-17-12-24-8-7-15(17)13-4-2-1-3-5-13/h1-10,12,16H,11H2,(H,26,28)(H,25,27,29)
InChIKeyCMHYJWFQHJOLGB-UHFFFAOYSA-N
XLogP3.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064729
2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118063909
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-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
CID 141452842
2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118065427
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115800
2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
CID 118071052

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide (CID 122583837) is 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide is O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CC2(F)F)c1.
What is the InChIKey of 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is CMHYJWFQHJOLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-21(23)11-16(21)20(29)27-18-10-14(6-9-25-18)19(28)26-17-12-24-8-7-15(17)13-4-2-1-3-5-13/h1-10,12,16H,11H2,(H,26,28)(H,25,27,29).
What are the key properties of 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 122583837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).