N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide

C26H32F2N4O2 — CID 90205340

IUPACN-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CC(C)(F)C4)C(C)C3)c2C)cn1
InChIInChI=1S/C26H32F2N4O2/c1-16-5-6-19(13-29-16)24(33)30-23-10-22(27)9-20(18(23)3)15-31-7-8-32(17(2)14-31)25(34)21-11-26(4,28)12-21/h5-6,9-10,13,17,21H,7-8,11-12,14-15H2,1-4H3,(H,30,33)
InChIKeyPDUKGIKCYIOWCO-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.26
Rot. Bonds5

About N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide

N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide (PubChem CID 90205340) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide
PubChem CID90205340
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC NameN-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CC(C)(F)C4)C(C)C3)c2C)cn1
InChIInChI=1S/C26H32F2N4O2/c1-16-5-6-19(13-29-16)24(33)30-23-10-22(27)9-20(18(23)3)15-31-7-8-32(17(2)14-31)25(34)21-11-26(4,28)12-21/h5-6,9-10,13,17,21H,7-8,11-12,14-15H2,1-4H3,(H,30,33)
InChIKeyPDUKGIKCYIOWCO-UHFFFAOYSA-N
XLogP4.26
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide (CID 90205340) is N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CC(C)(F)C4)C(C)C3)c2C)cn1.
What is the InChIKey of N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is PDUKGIKCYIOWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-16-5-6-19(13-29-16)24(33)30-23-10-22(27)9-20(18(23)3)15-31-7-8-32(17(2)14-31)25(34)21-11-26(4,28)12-21/h5-6,9-10,13,17,21H,7-8,11-12,14-15H2,1-4H3,(H,30,33).
What are the key properties of N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide?
N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 90205340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).