N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide

C24H22FN3O4 — CID 57406789

IUPACN-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C1CC1
InChIInChI=1S/C24H22FN3O4/c25-17-8-12-19(13-9-17)32-18-10-6-15(7-11-18)20-2-1-3-22(26-20)28-24(31)21(14-29)27-23(30)16-4-5-16/h1-3,6-13,16,21,29H,4-5,14H2,(H,27,30)(H,26,28,31)/t21-/m0/s1
InChIKeyNMBUYOWAYWQAHW-NRFANRHFSA-N
MW435.46 g/mol
LogP3.51
Rot. Bonds8

About N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide

N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide (PubChem CID 57406789) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide
PubChem CID57406789
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC NameN-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C1CC1
InChIInChI=1S/C24H22FN3O4/c25-17-8-12-19(13-9-17)32-18-10-6-15(7-11-18)20-2-1-3-22(26-20)28-24(31)21(14-29)27-23(30)16-4-5-16/h1-3,6-13,16,21,29H,4-5,14H2,(H,27,30)(H,26,28,31)/t21-/m0/s1
InChIKeyNMBUYOWAYWQAHW-NRFANRHFSA-N
XLogP3.51
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxy-2-(propan-2-ylcarbamoylamino)propanamide
CID 67981841
2-acetamido-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)propanamide
CID 67981872
N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643700
4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 6621139
N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 86717676
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one
CID 121354458
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
1-[(2-fluorophenyl)methyl]-3-[6-(4-fluorophenyl)-2-pyridinyl]urea
CID 11566276
2,2-difluoro-N-(6-naphthalen-2-yl-2-pyridinyl)acetamide
CID 154807933
methyl (2S)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]propanoate
CID 66806428
N-[(3S)-7-amino-2-oxoheptan-3-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 118343436
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[6-(4-fluorophenyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 89480785

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide (CID 57406789) is N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide is O=C(N[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C1CC1.
What is the InChIKey of N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide?
The InChIKey is NMBUYOWAYWQAHW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22FN3O4/c25-17-8-12-19(13-9-17)32-18-10-6-15(7-11-18)20-2-1-3-22(26-20)28-24(31)21(14-29)27-23(30)16-4-5-16/h1-3,6-13,16,21,29H,4-5,14H2,(H,27,30)(H,26,28,31)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide?
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57406789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).