N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide

C29H23FN4O4 — CID 10118366

IUPACN-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
SMILESCC(Oc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3cccc(C#N)c3)cc2)c(F)c1)C(N)=O
InChIInChI=1S/C29H23FN4O4/c1-18(27(32)35)37-23-11-12-24(26(30)15-23)21-9-7-19(8-10-21)17-34-28(36)25-6-3-13-33-29(25)38-22-5-2-4-20(14-22)16-31/h2-15,18H,17H2,1H3,(H2,32,35)(H,34,36)
InChIKeyXQVUFPOPUJBTJQ-UHFFFAOYSA-N
MW510.53 g/mol
LogP4.73
Rot. Bonds9

About N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide

N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide (PubChem CID 10118366) has the molecular formula C29H23FN4O4 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
PubChem CID10118366
Molecular FormulaC29H23FN4O4
Molecular Weight510.53 g/mol
Exact Mass510.17
IUPAC NameN-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
SMILESCC(Oc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3cccc(C#N)c3)cc2)c(F)c1)C(N)=O
InChIInChI=1S/C29H23FN4O4/c1-18(27(32)35)37-23-11-12-24(26(30)15-23)21-9-7-19(8-10-21)17-34-28(36)25-6-3-13-33-29(25)38-22-5-2-4-20(14-22)16-31/h2-15,18H,17H2,1H3,(H2,32,35)(H,34,36)
InChIKeyXQVUFPOPUJBTJQ-UHFFFAOYSA-N
XLogP4.73
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 23529310
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
CID 22612427
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 10280432
N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134005289
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
CID 10180834
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide
CID 71996883

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide (CID 10118366) is N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide is CC(Oc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3cccc(C#N)c3)cc2)c(F)c1)C(N)=O.
What is the InChIKey of N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide?
The InChIKey is XQVUFPOPUJBTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN4O4/c1-18(27(32)35)37-23-11-12-24(26(30)15-23)21-9-7-19(8-10-21)17-34-28(36)25-6-3-13-33-29(25)38-22-5-2-4-20(14-22)16-31/h2-15,18H,17H2,1H3,(H2,32,35)(H,34,36).
What are the key properties of N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide?
N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 10118366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).