N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide

C24H25F4N5O3 — CID 169115455

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@@H](C)N(C(=O)C3(C(F)(F)F)CC3)C[C@@H]2c2ccc(F)cc2)cnc1N
InChIInChI=1S/C24H25F4N5O3/c1-13-9-17(10-30-19(13)29)31-20(34)21(35)33-11-14(2)32(22(36)23(7-8-23)24(26,27)28)12-18(33)15-3-5-16(25)6-4-15/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3,(H2,29,30)(H,31,34)/t14-,18-/m1/s1
InChIKeyMVLXWAFULAHTPL-RDTXWAMCSA-N
MW507.49 g/mol
LogP3.19
Rot. Bonds3

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 169115455) has the molecular formula C24H25F4N5O3 and a molecular weight of 507.49 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID169115455
Molecular FormulaC24H25F4N5O3
Molecular Weight507.49 g/mol
Exact Mass507.19
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@@H](C)N(C(=O)C3(C(F)(F)F)CC3)C[C@@H]2c2ccc(F)cc2)cnc1N
InChIInChI=1S/C24H25F4N5O3/c1-13-9-17(10-30-19(13)29)31-20(34)21(35)33-11-14(2)32(22(36)23(7-8-23)24(26,27)28)12-18(33)15-3-5-16(25)6-4-15/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3,(H2,29,30)(H,31,34)/t14-,18-/m1/s1
InChIKeyMVLXWAFULAHTPL-RDTXWAMCSA-N
XLogP3.19
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide (CID 169115455) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@@H](C)N(C(=O)C3(C(F)(F)F)CC3)C[C@@H]2c2ccc(F)cc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is MVLXWAFULAHTPL-RDTXWAMCSA-N. The full InChI is InChI=1S/C24H25F4N5O3/c1-13-9-17(10-30-19(13)29)31-20(34)21(35)33-11-14(2)32(22(36)23(7-8-23)24(26,27)28)12-18(33)15-3-5-16(25)6-4-15/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3,(H2,29,30)(H,31,34)/t14-,18-/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 507.49 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).