N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide

C16H13F5N4O2 — CID 166012116

IUPACN-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
SMILESO=C(NCc1cncnc1C1CC(F)(F)C1)c1cnc(OC(F)F)c(F)c1
InChIInChI=1S/C16H13F5N4O2/c17-11-1-8(5-24-14(11)27-15(18)19)13(26)23-6-10-4-22-7-25-12(10)9-2-16(20,21)3-9/h1,4-5,7,9,15H,2-3,6H2,(H,23,26)
InChIKeyIAINMOCJUCZVCX-UHFFFAOYSA-N
MW388.30 g/mol
LogP3.05
Rot. Bonds6

About N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide

N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide (PubChem CID 166012116) has the molecular formula C16H13F5N4O2 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
PubChem CID166012116
Molecular FormulaC16H13F5N4O2
Molecular Weight388.30 g/mol
Exact Mass388.10
IUPAC NameN-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
SMILESO=C(NCc1cncnc1C1CC(F)(F)C1)c1cnc(OC(F)F)c(F)c1
InChIInChI=1S/C16H13F5N4O2/c17-11-1-8(5-24-14(11)27-15(18)19)13(26)23-6-10-4-22-7-25-12(10)9-2-16(20,21)3-9/h1,4-5,7,9,15H,2-3,6H2,(H,23,26)
InChIKeyIAINMOCJUCZVCX-UHFFFAOYSA-N
XLogP3.05
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide with MolForge

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Related Compounds

6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
CID 166012158
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012151
6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
CID 139532950
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 153348287
N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41369321
N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 146643951

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide (CID 166012116) is N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide is O=C(NCc1cncnc1C1CC(F)(F)C1)c1cnc(OC(F)F)c(F)c1.
What is the InChIKey of N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The InChIKey is IAINMOCJUCZVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4O2/c17-11-1-8(5-24-14(11)27-15(18)19)13(26)23-6-10-4-22-7-25-12(10)9-2-16(20,21)3-9/h1,4-5,7,9,15H,2-3,6H2,(H,23,26).
What are the key properties of N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide has a molecular weight of 388.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 166012116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).